MolNFT v1 · #61021 · protein

Symmetric structure of E. COLI acrb

3D9B · Acriflavine resistance protein B: “Symmetric structure of E. COLI acrb”. X-ray diffraction, 1 ligand (NI), 14 pockets (best druggability 0.81). MolNFT v1 #61021 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3D9B
Type: protein
Length: 1,045 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acriflavine resistance protein B
UniProt: P31224
Ligands: NI
Pockets: 14 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acriflavine resistance protein B	protein	1045	51% helix, 16% strand	P31224

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	256	0.81	0.93	44	empty
2	604	0.80	0.86	75	empty
3	257	0.67	0.83	30	empty
4	209	0.59	0.80	27	empty
5	164	0.52	0.79	26	empty

Compared structures

3D9B · Symmetric structure of E. coli AcrB · the same entry in another collection · chain A against A, TM-score 1.00
P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P31224
Elsewhere: RCSB PDB 3D9B · PDBe 3D9B · UniProt P31224

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