MolNFT v1 · #25086 · protein

Crystal structure of the membrane fusion protein, mexa of the multidrug transporter

1VF7 · Multidrug resistance protein mexa: “Crystal structure of the membrane fusion protein, mexa of the multidrug transporter”. X-ray diffraction, 20 pockets (best druggability 0.56). MolNFT v1 #25086 on GenesisL1: 3D structure, binding…

PDB: 1VF7
Type: protein
Length: 3,085 residues
Chains: 13
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein mexa
UniProt: P52477
Pockets: 20 · best druggability 0.56

Structure

x-ray diffraction · 9 distinct chains · 28% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug resistance protein mexa	protein	237	29% helix, 31% strand	P52477
B, D, I, J, L	Multidrug resistance protein mexa	protein	235	29% helix, 35% strand	P52477
C	Multidrug resistance protein mexa	protein	246	28% helix, 39% strand	P52477
E	Multidrug resistance protein mexa	protein	252	27% helix, 35% strand	P52477
F	Multidrug resistance protein mexa	protein	233	29% helix, 34% strand	P52477
G	Multidrug resistance protein mexa	protein	237	28% helix, 35% strand	P52477
H	Multidrug resistance protein mexa	protein	241	28% helix, 35% strand	P52477
K	Multidrug resistance protein mexa	protein	232	29% helix, 33% strand	P52477
M	Multidrug resistance protein mexa	protein	232	28% helix, 31% strand	P52477

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	120	0.56	0.83	20	empty
2	223	0.56	0.79	37	empty
3	236	0.56	0.78	35	empty
4	133	0.55	0.82	20	empty
5	131	0.54	0.82	20	empty

Interfaces

25 interfaces between chains.

B–C · 1739 Å² buried · 29 hydrogen bonds · protein-protein
K–L · 1698 Å² buried · 21 hydrogen bonds · protein-protein
F–G · 1687 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1658 Å² buried · 23 hydrogen bonds · protein-protein
D–E · 1616 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

1VF7 · Crystal structure of the membrane fusion protein, MexA of the multidrug transporter · the same entry in another collection · chain M against M, 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 P52477
Elsewhere: RCSB PDB 1VF7 · PDBe 1VF7 · UniProt P52477

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