MolNFT v1 · #69278 · protein

Vibrio cholerae vpst

3KLN · Transcriptional regulator, luxr family: “Vibrio cholerae vpst”. X-ray diffraction, 13 pockets (best druggability 0.61). MolNFT v1 #69278 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3KLN
Type: protein
Length: 818 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, luxr family
UniProt: Q9KKZ8
Pockets: 13 · best druggability 0.61

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, luxr family	protein	217	52% helix, 14% strand	Q9KKZ8
B	Transcriptional regulator, luxr family	protein	215	53% helix, 14% strand	Q9KKZ8
C	Transcriptional regulator, luxr family	protein	213	52% helix, 15% strand	Q9KKZ8
D	Transcriptional regulator, luxr family	protein	173	44% helix, 16% strand	Q9KKZ8

Pockets

13 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	244	0.61	0.80	32	empty
2	130	0.50	0.80	22	empty
3	111	0.50	0.81	22	empty
4	121	0.46	0.78	24	empty
5	91	0.43	0.79	19	empty

Interfaces

3 interfaces between chains.

A–B · 927 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 914 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 554 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

3KLN · Vibrio cholerae VpsT · 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 Q9KKZ8
Elsewhere: RCSB PDB 3KLN · PDBe 3KLN · UniProt Q9KKZ8

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