MolNFT v1 · #94362 · protein

Mate transporter norm-ng in complex with tpp and monobody

4HUK · Multidrug efflux protein: “Mate transporter norm-ng in complex with tpp and monobody”. X-ray diffraction, 1 ligand (P4P), 6 pockets (best druggability 0.89). MolNFT v1 #94362 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4HUK
Type: protein
Length: 550 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug efflux protein; Protein B
UniProt: E8SM44
Ligands: P4P
Pockets: 6 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug efflux protein	protein	459	31% helix, 0% strand	E8SM44
B	Protein B	protein	91	0% helix, 26% strand	—

Ligands and binding sites

P4P · Tetraphenylphosphonium · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1062	0.89	0.90	143	P4P
2	72	0.58	0.89	24	empty
3	128	0.53	0.81	22	empty
4	84	0.47	0.82	18	empty
5	96	0.38	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 527 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4HUK · MATE transporter NorM-NG in complex with TPP and monobody · 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 E8SM44
Elsewhere: RCSB PDB 4HUK · PDBe 4HUK · UniProt E8SM44

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