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Zinc in PDB 6btp: BMP1 Complexed with A Hydroxamate

Enzymatic activity of BMP1 Complexed with A Hydroxamate

All present enzymatic activity of BMP1 Complexed with A Hydroxamate:
3.4.24.19;

Protein crystallography data

The structure of BMP1 Complexed with A Hydroxamate, PDB code: 6btp was solved by R.Gampe, L.Shewchuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.09 / 1.93
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.331, 124.366, 43.642, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 23.3

Zinc Binding Sites:

The binding sites of Zinc atom in the BMP1 Complexed with A Hydroxamate (pdb code 6btp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the BMP1 Complexed with A Hydroxamate, PDB code: 6btp:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 6btp

Go back to Zinc Binding Sites List in 6btp
Zinc binding site 1 out of 3 in the BMP1 Complexed with A Hydroxamate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of BMP1 Complexed with A Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:11.1
occ:1.00
NE2 A:HIS93 2.1 14.5 1.0
NE2 A:HIS103 2.1 14.6 1.0
O26 A:E8J304 2.2 28.4 1.0
NE2 A:HIS97 2.2 19.5 1.0
O23 A:E8J304 2.2 29.8 1.0
O A:HOH450 2.3 18.9 1.0
C22 A:E8J304 2.9 30.5 1.0
N24 A:E8J304 3.0 30.1 1.0
CD2 A:HIS103 3.1 14.8 1.0
CE1 A:HIS93 3.1 14.6 1.0
CD2 A:HIS93 3.1 15.0 1.0
CE1 A:HIS103 3.1 14.7 1.0
CD2 A:HIS97 3.2 20.4 1.0
CE1 A:HIS97 3.2 20.1 1.0
ND1 A:HIS93 4.2 15.0 1.0
ND1 A:HIS103 4.2 14.7 1.0
CG A:HIS103 4.2 14.8 1.0
CG A:HIS93 4.2 15.4 1.0
ND1 A:HIS97 4.3 20.9 1.0
O A:HOH469 4.3 24.4 1.0
CG A:HIS97 4.3 21.4 1.0
OE2 A:GLU94 4.4 20.4 1.0
C19 A:E8J304 4.4 31.5 1.0
C33 A:E8J304 4.4 34.1 1.0
O A:HOH443 4.5 25.8 1.0
CE A:MET150 4.7 15.5 1.0

Zinc binding site 2 out of 3 in 6btp

Go back to Zinc Binding Sites List in 6btp
Zinc binding site 2 out of 3 in the BMP1 Complexed with A Hydroxamate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of BMP1 Complexed with A Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:46.3
occ:1.00
O A:ACE-1 2.2 33.3 1.0
O A:HOH438 2.3 22.6 1.0
O A:HOH410 2.4 20.7 1.0
OE2 A:GLU104 2.5 18.3 1.0
O A:HOH425 2.5 27.1 1.0
OE1 A:GLN192 2.5 38.5 1.0
OE1 A:GLU104 2.6 19.2 1.0
CD A:GLU104 2.9 18.2 1.0
C A:ACE-1 3.3 32.7 1.0
CD A:GLN192 3.4 40.0 1.0
NE2 A:GLN192 3.7 39.4 1.0
N A:ALA1 3.9 31.7 1.0
CB A:ASP145 3.9 24.9 1.0
O A:HOH467 4.0 20.1 1.0
NH1 A:ARG107 4.2 23.3 1.0
O A:HOH481 4.3 32.9 1.0
CG A:GLU104 4.4 17.2 1.0
CH3 A:ACE-1 4.5 33.5 1.0
OD2 A:ASP145 4.5 25.2 1.0
OG A:SER148 4.6 19.6 1.0
OD1 A:ASP189 4.6 28.9 1.0
CG A:GLN192 4.7 41.2 1.0
CB A:SER148 4.7 20.3 1.0
N A:ASP145 4.8 24.9 1.0
CG A:ASP145 4.8 25.3 1.0
O A:THR143 4.9 31.2 1.0
CB A:GLN192 4.9 41.8 1.0
CA A:ASP145 5.0 24.9 1.0

Zinc binding site 3 out of 3 in 6btp

Go back to Zinc Binding Sites List in 6btp
Zinc binding site 3 out of 3 in the BMP1 Complexed with A Hydroxamate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of BMP1 Complexed with A Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn304

b:9.5
occ:1.00
O B:HOH529 1.9 23.5 1.0
NE2 B:HIS93 2.0 8.1 1.0
NE2 B:HIS103 2.1 9.2 1.0
NE2 B:HIS97 2.1 7.8 1.0
O B:HOH564 2.6 32.0 1.0
CE1 B:HIS93 2.9 8.1 1.0
CD2 B:HIS93 3.0 8.1 1.0
CD2 B:HIS103 3.0 9.2 1.0
CE1 B:HIS103 3.0 9.2 1.0
CE1 B:HIS97 3.0 7.8 1.0
CD2 B:HIS97 3.1 7.7 1.0
OE2 B:GLU94 4.0 10.4 1.0
ND1 B:HIS93 4.1 8.2 1.0
CG B:HIS93 4.1 8.2 1.0
ND1 B:HIS103 4.1 9.2 1.0
CG B:HIS103 4.2 9.3 1.0
ND1 B:HIS97 4.2 7.8 1.0
CG B:HIS97 4.2 7.8 1.0
O B:HOH436 4.4 15.2 1.0
O B:HOH527 4.5 26.4 1.0
O B:HOH534 4.5 26.9 1.0
CE B:MET150 4.5 8.8 1.0
CD B:GLU94 4.9 9.9 1.0
O B:HOH574 4.9 28.6 1.0
OG B:SER67 4.9 20.2 1.0

Reference:

L.S.Kallander, D.Washburn, M.A.Hilfiker, H.S.Eidam, B.G.Lawhorn, J.Prendergast, R.Fox, S.Dowdell, S.Manns, T.Hoang, S.Zhao, G.Ye, M.Hammond, D.A.Holt, T.Roethke, X.Hong, R.A.Reid, R.Gampe, H.Zhang, E.Diaz, A.R.Rendina, A.M.Quinn, B.Willette. Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. Acs Med Chem Lett V. 9 736 2018.
ISSN: ISSN 1948-5875
PubMed: 30034610
DOI: 10.1021/ACSMEDCHEMLETT.8B00173
Page generated: Thu Aug 21 12:50:27 2025

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