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Zinc in PDB 7yh9: Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid

Enzymatic activity of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid

All present enzymatic activity of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid, PDB code: 7yh9 was solved by G.-B.Li, Y.-H.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.97 / 2.39
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.454, 173.143, 97.447, 90, 123.88, 90
R / Rfree (%) 18.7 / 23.5

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid (pdb code 7yh9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid, PDB code: 7yh9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 7yh9

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Zinc binding site 1 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:29.8
occ:1.00
 NE2 A:HIS157 2.0 26.2 1.0
ND1 A:HIS97 2.0 21.6 1.0
NE2 A:HIS95 2.0 27.0 1.0
O24 A:IT0303 2.2 26.8 1.0
O23 A:IT0303 2.4 30.1 1.0
C22 A:IT0303 2.6 28.7 1.0
CD2 A:HIS95 2.9 23.9 1.0
CD2 A:HIS157 2.9 25.7 1.0
CE1 A:HIS157 3.0 30.8 1.0
CE1 A:HIS97 3.0 23.3 1.0
CG A:HIS97 3.0 25.6 1.0
CE1 A:HIS95 3.1 25.0 1.0
CB A:HIS97 3.4 23.6 1.0
ZN A:ZN302 3.5 31.4 1.0
OD1 A:ASP99 3.8 26.0 1.0
SG A:CYS176 3.9 27.5 1.0
O03 A:IT0303 4.0 36.7 1.0
CB A:CYS176 4.0 21.9 1.0
ND1 A:HIS157 4.1 27.2 1.0
CG A:HIS157 4.1 25.9 1.0
CG A:HIS95 4.1 24.6 1.0
C21 A:IT0303 4.1 29.1 1.0
NE2 A:HIS97 4.1 20.7 1.0
CD2 A:HIS97 4.2 18.1 1.0
ND1 A:HIS95 4.2 28.5 1.0
OD2 A:ASP99 4.4 23.2 1.0
CG2 A:THR158 4.4 22.4 1.0
C02 A:IT0303 4.4 31.1 1.0
CG A:ASP99 4.5 21.2 1.0
CA A:HIS97 4.8 20.9 1.0
C04 A:IT0303 4.8 26.8 1.0

Zinc binding site 2 out of 12 in 7yh9

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Zinc binding site 2 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:31.4
occ:1.00
 O24 A:IT0303 1.7 26.8 1.0
NE2 A:HIS215 2.0 26.3 1.0
OD2 A:ASP99 2.0 23.2 1.0
SG A:CYS176 2.2 27.5 1.0
O03 A:IT0303 2.4 36.7 1.0
C22 A:IT0303 2.8 28.7 1.0
CD2 A:HIS215 2.9 28.0 1.0
CE1 A:HIS215 3.0 27.5 1.0
CG A:ASP99 3.1 21.2 1.0
C21 A:IT0303 3.2 29.1 1.0
C02 A:IT0303 3.3 31.1 1.0
C04 A:IT0303 3.4 26.8 1.0
CB A:CYS176 3.4 21.9 1.0
OD1 A:ASP99 3.5 26.0 1.0
ZN A:ZN301 3.5 29.8 1.0
O23 A:IT0303 3.9 30.1 1.0
ND1 A:HIS215 4.0 26.0 1.0
CG A:HIS215 4.1 26.5 1.0
C20 A:IT0303 4.1 29.3 1.0
CE1 A:HIS95 4.2 25.0 1.0
NE2 A:HIS95 4.2 27.0 1.0
CB A:SER214 4.2 19.2 1.0
NE2 A:HIS157 4.4 26.2 1.0
CB A:ASP99 4.4 19.9 1.0
C05 A:IT0303 4.4 33.1 1.0
OG A:SER214 4.4 21.6 1.0
O01 A:IT0303 4.5 34.2 1.0
CA A:CYS176 4.5 20.5 1.0
CE A:LYS51 4.7 17.6 1.0
CE1 A:HIS157 4.7 30.8 1.0
CD A:LYS51 4.7 18.9 1.0
C19 A:IT0303 5.0 32.0 1.0

Zinc binding site 3 out of 12 in 7yh9

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Zinc binding site 3 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:30.7
occ:1.00
 OD2 B:ASP99 1.9 21.9 1.0
O24 B:IT0303 1.9 23.1 1.0
NE2 B:HIS215 2.0 25.3 1.0
SG B:CYS176 2.2 29.3 1.0
O01 B:IT0303 2.9 29.0 1.0
C22 B:IT0303 2.9 26.6 1.0
CE1 B:HIS215 3.0 25.1 1.0
CG B:ASP99 3.0 24.5 1.0
CD2 B:HIS215 3.1 24.9 1.0
C21 B:IT0303 3.4 28.4 1.0
CB B:CYS176 3.4 21.8 1.0
ZN B:ZN302 3.5 27.9 1.0
OD1 B:ASP99 3.6 28.6 1.0
C02 B:IT0303 3.7 26.3 1.0
C04 B:IT0303 3.7 28.2 1.0
O23 B:IT0303 4.0 26.7 1.0
C20 B:IT0303 4.1 29.6 1.0
ND1 B:HIS215 4.1 25.8 1.0
CE1 B:HIS95 4.2 25.4 1.0
CG B:HIS215 4.2 25.0 1.0
NE2 B:HIS95 4.2 24.7 1.0
CB B:ASP99 4.3 21.4 1.0
CB B:SER214 4.3 22.3 1.0
NE2 B:HIS157 4.4 18.8 1.0
CA B:CYS176 4.5 18.5 1.0
OG B:SER214 4.5 24.0 1.0
CE B:LYS51 4.5 21.1 1.0
CE1 B:HIS157 4.7 22.4 1.0
C05 B:IT0303 4.8 31.9 1.0
CD B:LYS51 4.8 20.5 1.0
O03 B:IT0303 4.9 34.5 1.0

Zinc binding site 4 out of 12 in 7yh9

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Zinc binding site 4 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn302

b:27.9
occ:1.00
 ND1 B:HIS97 1.9 19.8 1.0
NE2 B:HIS157 2.0 18.8 1.0
O24 B:IT0303 2.1 23.1 1.0
NE2 B:HIS95 2.1 24.7 1.0
O23 B:IT0303 2.6 26.7 1.0
C22 B:IT0303 2.7 26.6 1.0
CE1 B:HIS97 2.8 24.8 1.0
CE1 B:HIS157 2.9 22.4 1.0
CG B:HIS97 3.0 20.9 1.0
CD2 B:HIS95 3.0 23.7 1.0
CD2 B:HIS157 3.1 21.1 1.0
CE1 B:HIS95 3.2 25.4 1.0
CB B:HIS97 3.4 24.7 1.0
ZN B:ZN301 3.5 30.7 1.0
SG B:CYS176 3.8 29.3 1.0
OD1 B:ASP99 3.8 28.6 1.0
O01 B:IT0303 3.9 29.0 1.0
NE2 B:HIS97 4.0 22.5 1.0
ND1 B:HIS157 4.0 18.8 1.0
CD2 B:HIS97 4.0 21.3 1.0
CB B:CYS176 4.1 21.8 1.0
OD2 B:ASP99 4.1 21.9 1.0
CG B:HIS157 4.2 20.9 1.0
C21 B:IT0303 4.2 28.4 1.0
CG B:HIS95 4.2 22.9 1.0
ND1 B:HIS95 4.2 24.1 1.0
CG B:ASP99 4.4 24.5 1.0
CG2 B:THR158 4.5 19.8 1.0
C02 B:IT0303 4.7 26.3 1.0
CA B:HIS97 4.8 22.9 1.0

Zinc binding site 5 out of 12 in 7yh9

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Zinc binding site 5 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn301

b:32.8
occ:1.00
 NE2 C:HIS157 2.0 27.9 1.0
O24 C:IT0303 2.0 36.3 1.0
ND1 C:HIS97 2.0 26.6 1.0
NE2 C:HIS95 2.1 30.0 1.0
O23 C:IT0303 2.4 37.5 1.0
C22 C:IT0303 2.5 37.2 1.0
CE1 C:HIS157 2.8 30.1 1.0
CD2 C:HIS95 3.0 31.6 1.0
CE1 C:HIS97 3.0 29.9 1.0
CG C:HIS97 3.0 25.8 1.0
CD2 C:HIS157 3.1 29.1 1.0
CE1 C:HIS95 3.2 27.2 1.0
CB C:HIS97 3.4 28.1 1.0
ZN C:ZN302 3.5 45.8 1.0
OD1 C:ASP99 3.8 30.9 1.0
SG C:CYS176 3.8 35.6 1.0
O03 C:IT0303 4.0 40.0 1.0
C21 C:IT0303 4.0 35.1 1.0
CB C:CYS176 4.0 30.8 1.0
ND1 C:HIS157 4.0 22.9 1.0
NE2 C:HIS97 4.1 24.7 1.0
CD2 C:HIS97 4.2 25.2 1.0
CG C:HIS95 4.2 27.4 1.0
CG C:HIS157 4.2 25.5 1.0
ND1 C:HIS95 4.2 27.4 1.0
OD2 C:ASP99 4.3 28.0 1.0
CG C:ASP99 4.4 26.3 1.0
C02 C:IT0303 4.6 35.8 1.0
CG2 C:THR158 4.7 29.4 1.0
CA C:HIS97 4.8 22.9 1.0
C04 C:IT0303 4.8 34.4 1.0
C20 C:IT0303 4.9 40.6 1.0

Zinc binding site 6 out of 12 in 7yh9

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Zinc binding site 6 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn302

b:45.8
occ:1.00
 O24 C:IT0303 1.9 36.3 1.0
OD2 C:ASP99 2.0 28.0 1.0
NE2 C:HIS215 2.0 34.6 1.0
SG C:CYS176 2.1 35.6 1.0
O03 C:IT0303 2.8 40.0 1.0
C22 C:IT0303 2.8 37.2 1.0
CD2 C:HIS215 3.0 35.0 1.0
CE1 C:HIS215 3.0 28.9 1.0
CG C:ASP99 3.1 26.3 1.0
C21 C:IT0303 3.2 35.1 1.0
CB C:CYS176 3.3 30.8 1.0
C04 C:IT0303 3.5 34.4 1.0
ZN C:ZN301 3.5 32.8 1.0
OD1 C:ASP99 3.5 30.9 1.0
C02 C:IT0303 3.6 35.8 1.0
C20 C:IT0303 3.9 40.6 1.0
O23 C:IT0303 4.0 37.5 1.0
ND1 C:HIS215 4.1 33.5 1.0
CG C:HIS215 4.1 34.1 1.0
NE2 C:HIS95 4.2 30.0 1.0
NE2 C:HIS157 4.2 27.9 1.0
CE1 C:HIS95 4.3 27.2 1.0
CB C:ASP99 4.3 28.5 1.0
CB C:SER214 4.4 30.6 1.0
C05 C:IT0303 4.4 42.0 1.0
CA C:CYS176 4.5 29.8 1.0
CE1 C:HIS157 4.6 30.1 1.0
OG C:SER214 4.7 30.6 1.0
CD C:LYS51 4.7 25.3 1.0
O01 C:IT0303 4.8 35.9 1.0
C19 C:IT0303 4.8 44.5 1.0
CE C:LYS51 4.8 23.1 1.0
C18 C:IT0303 5.0 47.0 1.0

Zinc binding site 7 out of 12 in 7yh9

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Zinc binding site 7 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn301

b:22.6
occ:1.00
 O03 D:IT0303 1.9 24.5 1.0
ND1 D:HIS97 1.9 15.9 1.0
NE2 D:HIS157 2.0 15.5 1.0
NE2 D:HIS95 2.1 20.7 1.0
C02 D:IT0303 2.7 19.8 1.0
O01 D:IT0303 2.7 23.0 1.0
CE1 D:HIS97 2.9 17.6 1.0
CD2 D:HIS95 2.9 17.7 1.0
CE1 D:HIS157 2.9 20.0 1.0
CG D:HIS97 3.0 16.6 1.0
CD2 D:HIS157 3.1 17.9 1.0
CE1 D:HIS95 3.2 21.3 1.0
CB D:HIS97 3.4 18.0 1.0
ZN D:ZN302 3.6 22.9 1.0
SG D:CYS176 4.0 26.2 1.0
NE2 D:HIS97 4.0 16.4 1.0
CB D:CYS176 4.0 19.7 1.0
ND1 D:HIS157 4.1 16.6 1.0
CD2 D:HIS97 4.1 15.4 1.0
OD1 D:ASP99 4.1 19.8 1.0
CG D:HIS95 4.1 20.5 1.0
C04 D:IT0303 4.1 18.0 1.0
O23 D:IT0303 4.1 23.3 1.0
CG D:HIS157 4.2 18.0 1.0
ND1 D:HIS95 4.2 21.1 1.0
CG2 D:THR158 4.4 18.8 1.0
OD2 D:ASP99 4.4 14.1 1.0
C17 D:IT0303 4.4 16.2 1.0
CG D:ASP99 4.7 17.3 1.0
N06 D:IT0303 4.7 21.2 1.0
CA D:HIS97 4.8 20.8 1.0
C22 D:IT0303 4.9 19.8 1.0
C05 D:IT0303 4.9 17.9 1.0
C21 D:IT0303 5.0 18.3 1.0

Zinc binding site 8 out of 12 in 7yh9

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Zinc binding site 8 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn302

b:22.9
occ:1.00
 OD2 D:ASP99 1.8 14.1 1.0
NE2 D:HIS215 2.0 17.8 1.0
O03 D:IT0303 2.2 24.5 1.0
SG D:CYS176 2.3 26.2 1.0
CE1 D:HIS215 2.9 16.8 1.0
CG D:ASP99 2.9 17.3 1.0
C02 D:IT0303 3.0 19.8 1.0
CD2 D:HIS215 3.1 20.9 1.0
C04 D:IT0303 3.2 18.0 1.0
CB D:CYS176 3.4 19.7 1.0
OD1 D:ASP99 3.4 19.8 1.0
O23 D:IT0303 3.4 23.3 1.0
ZN D:ZN301 3.6 22.6 1.0
C21 D:IT0303 3.6 18.3 1.0
C05 D:IT0303 3.6 17.9 1.0
C22 D:IT0303 4.0 19.8 1.0
CE1 D:HIS95 4.0 21.3 1.0
NE2 D:HIS95 4.0 20.7 1.0
ND1 D:HIS215 4.1 19.0 1.0
N06 D:IT0303 4.1 21.2 1.0
O01 D:IT0303 4.2 23.0 1.0
CG D:HIS215 4.2 16.4 1.0
CB D:ASP99 4.2 13.7 1.0
CB D:SER214 4.2 17.1 1.0
OG D:SER214 4.4 19.0 1.0
NE2 D:HIS157 4.4 15.5 1.0
CE D:LYS51 4.4 15.3 1.0
C20 D:IT0303 4.5 18.0 1.0
C18 D:IT0303 4.5 17.7 1.0
CD D:LYS51 4.5 14.4 1.0
N07 D:IT0303 4.6 18.1 1.0
CA D:CYS176 4.6 17.0 1.0
C17 D:IT0303 4.8 16.2 1.0
C19 D:IT0303 4.9 15.6 1.0
CE1 D:HIS157 5.0 20.0 1.0

Zinc binding site 9 out of 12 in 7yh9

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Zinc binding site 9 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn301

b:29.4
occ:1.00
 OD2 E:ASP99 1.9 24.9 1.0
NE2 E:HIS215 2.0 23.7 1.0
SG E:CYS176 2.2 31.6 1.0
O01 E:IT0303 2.2 26.9 1.0
CE1 E:HIS215 2.9 21.7 1.0
CG E:ASP99 2.9 25.6 1.0
C02 E:IT0303 3.0 24.1 1.0
CD2 E:HIS215 3.1 23.1 1.0
C04 E:IT0303 3.2 21.1 1.0
O24 E:IT0303 3.4 25.9 1.0
OD1 E:ASP99 3.4 27.5 1.0
CB E:CYS176 3.4 21.2 1.0
ZN E:ZN302 3.4 27.2 1.0
C21 E:IT0303 3.6 23.4 1.0
C05 E:IT0303 3.7 25.4 1.0
C22 E:IT0303 3.9 22.7 1.0
ND1 E:HIS215 4.1 21.8 1.0
CE1 E:HIS95 4.1 25.0 1.0
N06 E:IT0303 4.1 26.5 1.0
NE2 E:HIS95 4.2 22.1 1.0
CG E:HIS215 4.2 19.1 1.0
CB E:ASP99 4.2 20.0 1.0
O03 E:IT0303 4.2 26.6 1.0
CB E:SER214 4.3 19.5 1.0
N07 E:IT0303 4.4 23.1 1.0
CE E:LYS51 4.4 20.3 1.0
NE2 E:HIS157 4.4 19.9 1.0
CD E:LYS51 4.5 17.6 1.0
C20 E:IT0303 4.5 25.4 1.0
C18 E:IT0303 4.6 27.5 1.0
CA E:CYS176 4.6 20.1 1.0
OG E:SER214 4.6 24.1 1.0
C17 E:IT0303 4.9 24.5 1.0
C19 E:IT0303 4.9 22.2 1.0
CE1 E:HIS157 5.0 23.7 1.0

Zinc binding site 10 out of 12 in 7yh9

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Zinc binding site 10 out of 12 in the Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Imp-1 Mbl in Complex with 3-(4-Benzyl-1H-1,2,3- Triazol-1-Yl)Phthalic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn302

b:27.2
occ:1.00
 O01 E:IT0303 1.8 26.9 1.0
NE2 E:HIS95 2.0 22.1 1.0
NE2 E:HIS157 2.0 19.9 1.0
ND1 E:HIS97 2.0 22.0 1.0
C02 E:IT0303 2.8 24.1 1.0
CD2 E:HIS95 2.9 23.5 1.0
CE1 E:HIS97 2.9 26.3 1.0
O03 E:IT0303 3.0 26.6 1.0
CD2 E:HIS157 3.0 21.8 1.0
CE1 E:HIS157 3.0 23.7 1.0
CE1 E:HIS95 3.1 25.0 1.0
CG E:HIS97 3.1 23.0 1.0
ZN E:ZN301 3.4 29.4 1.0
CB E:HIS97 3.5 25.5 1.0
SG E:CYS176 3.8 31.6 1.0
CB E:CYS176 3.9 21.2 1.0
OD1 E:ASP99 4.0 27.5 1.0
NE2 E:HIS97 4.0 17.7 1.0
CG E:HIS95 4.1 22.7 1.0
ND1 E:HIS157 4.1 21.1 1.0
ND1 E:HIS95 4.1 26.8 1.0
CD2 E:HIS97 4.1 17.0 1.0
CG E:HIS157 4.1 21.5 1.0
O24 E:IT0303 4.2 25.9 1.0
C04 E:IT0303 4.2 21.1 1.0
OD2 E:ASP99 4.4 24.9 1.0
CG2 E:THR158 4.4 24.8 1.0
CG E:ASP99 4.6 25.6 1.0
C17 E:IT0303 4.6 24.5 1.0
N06 E:IT0303 4.8 26.5 1.0
CA E:HIS97 4.9 21.1 1.0
C22 E:IT0303 4.9 22.7 1.0

Reference:

Y.H.Yan, H.S.Ding, K.R.Zhu, B.S.Mu, Y.Zheng, M.Y.Huang, C.Zhou, W.F.Li, Z.Wang, Y.Wu, G.B.Li. Metal Binding Pharmacophore Click-Derived Discovery of New Broad-Spectrum Metallo-Beta-Lactamase Inhibitors. Eur.J.Med.Chem. V. 257 15473 2023.
ISSN: ISSN 0223-5234
PubMed: 37209449
DOI: 10.1016/J.EJMECH.2023.115473
Page generated: Wed Oct 30 15:49:40 2024

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