MolNFT v1 · #159190 · protein

E. COLI guanine deaminase

6OHB: “E. COLI guanine deaminase”. X-ray diffraction, 1 ligand (ZN), 14 pockets (best druggability 0.85). MolNFT v1 #159190 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OHB
Type: protein
Length: 1,737 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Guanine deaminase
EC: 3.5.4.3
UniProt: P76641
Ligands: ZN
Pockets: 14 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Guanine deaminase (EC 3.5.4.3)	protein	435	43% helix, 23% strand	P76641
D	Guanine deaminase (EC 3.5.4.3)	protein	432	43% helix, 23% strand	P76641

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	269	0.85	0.96	50	empty
2	840	0.84	0.86	72	empty
3	322	0.84	0.94	50	empty
4	565	0.83	0.89	41	empty
5	1182	0.83	0.84	93	empty

Interfaces

6 interfaces between chains.

A–C · 2090 Å² buried · 29 hydrogen bonds · protein-protein
B–D · 1934 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 908 Å² buried · 14 hydrogen bonds · protein-protein
B–C · 877 Å² buried · 22 hydrogen bonds · protein-protein
A–D · 652 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

6OHB · E. coli Guanine Deaminase · the same entry in another collection · chain A against A, TM-score 1.00
P76641 · AlphaFold monomer V2.0 prediction for guanine deaminase (P76641) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P76641
Elsewhere: RCSB PDB 6OHB · PDBe 6OHB · UniProt P76641

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