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Zinc in PDB 4tmn: Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues

Enzymatic activity of Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues

All present enzymatic activity of Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues:
3.4.24.27;

Protein crystallography data

The structure of Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues, PDB code: 4tmn was solved by H.M.Holden, D.E.Tronrud, A.F.Monzingo, L.H.Weaver, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	N/A / 1.70
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	94.100, 94.100, 131.400, 90.00, 90.00, 120.00
*R / R_free (%)*	n/a / n/a

Other elements in 4tmn:

Calcium

(Ca)

4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues (pdb code 4tmn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues, PDB code: 4tmn:

Zinc binding site 1 out of 1 in 4tmn

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Zinc Binding Sites List in 4tmn

Zinc binding site 1 out of 1 in the Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues

Mono view

Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Slow-and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding. Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
E:Zn322 b:12.3 occ:1.00	OE1	E:GLU166	2.0	13.6	1.0
	NE2	E:HIS142	2.1	15.7	1.0
	NE2	E:HIS146	2.1	10.1	1.0
	O1P	E:0PK317	2.2	16.8	1.0
	O2P	E:0PK317	2.6	20.5	1.0
	CD	E:GLU166	2.8	10.4	1.0
	P	E:0PK317	2.9	21.7	1.0
	OE2	E:GLU166	2.9	13.4	1.0
	CE1	E:HIS146	3.0	7.9	1.0
	CD2	E:HIS142	3.0	13.7	1.0
	CE1	E:HIS142	3.1	9.3	1.0
	CD2	E:HIS146	3.2	11.7	1.0
	OH	E:TYR157	3.7	13.2	1.0
	N	E:0PK317	4.1	22.5	1.0
	ND1	E:HIS146	4.1	9.3	1.0
	CA	E:0PK317	4.2	15.6	1.0
	CG	E:HIS142	4.2	10.7	1.0
	ND1	E:HIS142	4.2	8.6	1.0
	NE2	E:HIS231	4.2	7.8	1.0
	CG	E:GLU166	4.2	5.6	1.0
	CG	E:HIS146	4.3	10.2	1.0
	N1	E:0PK317	4.3	10.7	1.0
	C1	E:0PK317	4.3	34.3	1.0
	CA1	E:0PK317	4.4	19.6	1.0
	OE1	E:GLU143	4.5	12.2	1.0
	CB	E:SER169	4.5	6.0	1.0
	O2	E:0PK317	4.6	36.8	1.0
	O1	E:0PK317	4.7	14.8	1.0
	CZ	E:TYR157	4.7	15.6	1.0
	CD2	E:HIS231	4.8	12.3	1.0
	CA	E:GLU166	4.8	6.3	1.0
	CE2	E:TYR157	4.8	20.1	1.0
	OG	E:SER169	4.8	7.9	1.0
	C	E:0PK317	4.9	21.3	1.0
	O	E:0PK317	4.9	13.7	1.0
	CB	E:0PK317	5.0	13.7	1.0

Reference:

H.M.Holden, D.E.Tronrud, A.F.Monzingo, L.H.Weaver, B.W.Matthews. Slow- and Fast-Binding Inhibitors of Thermolysin Display Different Modes of Binding: Crystallographic Analysis of Extended Phosphonamidate Transition-State Analogues. Biochemistry V. 26 8542 1987.
ISSN: ISSN 0006-2960
PubMed: 3442675
DOI: 10.1021/BI00400A008

Page generated: Sun Oct 27 08:23:05 2024

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