MolNFT v1 · #47392 · protein

Crystal structure of gene product SO3848 from shewanella oneidensis mr-1

2OX6 · Hypothetical protein SO3848: “Crystal structure of gene product SO3848 from shewanella oneidensis mr-1”. X-ray diffraction, 1 ligand (MG), 11 pockets (best druggability 0.72). MolNFT v1 #47392 on GenesisL1: 3D structure, binding…

PDB: 2OX6
Type: protein
Length: 648 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein SO3848
UniProt: Q8EAP9
Ligands: MG
Pockets: 11 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 65% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hypothetical protein SO3848	protein	162	64% helix, 7% strand	Q8EAP9
C	Hypothetical protein SO3848	protein	163	65% helix, 7% strand	Q8EAP9
D	Hypothetical protein SO3848	protein	161	65% helix, 6% strand	Q8EAP9

Ligands and binding sites

MG · Magnesium ion · metal · 10 copies · chains A, B, C, D

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

Pockets

11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	414	0.72	0.83	44	MG
2	800	0.70	0.76	52	empty
3	262	0.69	0.85	30	empty
4	153	0.51	0.79	17	empty
5	235	0.51	0.75	25	empty

Interfaces

3 interfaces between chains.

C–D · 1136 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1094 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 220 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

2OX6 · Crystal structure of gene product SO3848 from Shewanella oneidensis MR-1 · 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 Q8EAP9
Elsewhere: RCSB PDB 2OX6 · PDBe 2OX6 · UniProt Q8EAP9

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