MolNFT v1 · #162036 · protein

Zinc-reconstituted odp from T. maritima

6QWO · Oxygen-binding diiron protein: “Zinc-reconstituted odp from T. maritima”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.55). MolNFT v1 #162036 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6QWO
Type: protein
Length: 505 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxygen-binding diiron protein
UniProt: R4NP31
Ligands: ZN
Pockets: 3 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxygen-binding diiron protein	protein	252	30% helix, 25% strand	R4NP31
B	Oxygen-binding diiron protein	protein	253	30% helix, 25% strand	R4NP31

Ligands and binding sites

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

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	161	0.55	0.81	27	empty
2	116	0.51	0.81	30	empty
3	57	0.30	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 2507 Å² buried · 43 hydrogen bonds · protein-protein

Compared structures

6QWO · Zinc-reconstituted ODP from T. maritima · the same entry in another collection · chain B against B, 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 R4NP31
Elsewhere: RCSB PDB 6QWO · PDBe 6QWO · UniProt R4NP31

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