MolNFT v1 · #51517 · protein

Rim domain of main porin from mycobacteria smegmatis

2V9U · Mspa: “Rim domain of main porin from mycobacteria smegmatis”. X-ray diffraction, 9 pockets (best druggability 0.35). MolNFT v1 #51517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2V9U
Type: protein
Length: 1,056 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mspa
UniProt: Q9RLP7
Pockets: 9 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 67% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H	Mspa	protein	132	2% helix, 67% strand	Q9RLP7

Pockets

9 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	89	0.35	0.75	26	empty
2	87	0.35	0.75	27	empty
3	102	0.34	0.74	22	empty
4	72	0.34	0.76	20	empty
5	78	0.34	0.75	19	empty

Interfaces

8 interfaces between chains.

D–E · 807 Å² buried · 11 hydrogen bonds · protein-protein
A–H · 798 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 789 Å² buried · 11 hydrogen bonds · protein-protein
E–F · 785 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 781 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2V9U · Rim domain of main porin from Mycobacteria smegmatis · 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 Q9RLP7
Elsewhere: RCSB PDB 2V9U · PDBe 2V9U · UniProt Q9RLP7

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