MolNFT v1 · #81229 · protein

Crystal structure of reduced oxyr from porphyromonas gingivalis

3UKI: “Crystal structure of reduced oxyr from porphyromonas gingivalis”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #81229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UKI
Type: protein
Length: 823 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxyr
UniProt: Q20K61
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxyr	protein	207	36% helix, 24% strand	Q20K61
B	Oxyr	protein	204	33% helix, 24% strand	Q20K61
C	Oxyr	protein	208	31% helix, 25% strand	Q20K61
D	Oxyr	protein	204	33% helix, 23% strand	Q20K61

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	374	0.72	0.83	44	empty
2	263	0.69	0.84	44	empty
3	406	0.65	0.79	33	empty
4	174	0.62	0.84	30	empty
5	106	0.60	0.86	27	empty

Interfaces

4 interfaces between chains.

A–B · 1165 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 1162 Å² buried · 7 hydrogen bonds · protein-protein
B–D · 331 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 53 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3UKI · Crystal structure of reduced OxyR from Porphyromonas gingivalis · the same entry in another collection · chain A against A, TM-score 1.00

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 Q20K61
Elsewhere: RCSB PDB 3UKI · PDBe 3UKI · UniProt Q20K61

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