MolNFT v1 · #52511 · protein

Globin domain of geobacter sulfurreducens globin-coupled sensor

2W31: “Globin domain of geobacter sulfurreducens globin-coupled sensor”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.69). MolNFT v1 #52511 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2W31
Type: protein
Length: 304 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Globin
UniProt: Q747F6
Ligands: HEM
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Globin	protein	152	82% helix, 0% strand	Q747F6

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

4 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	219	0.69	0.85	24	HEM
2	223	0.69	0.85	26	HEM
3	113	0.39	0.75	14	empty
4	94	0.37	0.76	15	empty

Interfaces

1 interface between chains.

A–B · 1730 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

2W31 · globin domain of Geobacter sulfurreducens globin-coupled sensor · 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 Q747F6
Elsewhere: RCSB PDB 2W31 · PDBe 2W31 · UniProt Q747F6

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