MolNFT v1 · #157015 · protein

Crystal structure of the V. cholerae biofilm matrix protein BAP1

6MLT · Hemolysin-related protein: “Crystal structure of the V. cholerae biofilm matrix protein BAP1”. X-ray diffraction, 2 ligands (NA, CA), 5 pockets (best druggability 0.62). MolNFT v1 #157015 on GenesisL1: 3D structure, binding sites…

PDB: 6MLT
Type: protein
Length: 603 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemolysin-related protein
UniProt: Q9KQW0
Ligands: NA, CA
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hemolysin-related protein	protein	603	4% helix, 41% strand	Q9KQW0

Ligands and binding sites

NA · Sodium ion · metal · 5 copies · chains A
CA · Calcium ion · metal · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A
FLC · Citrate anion · additive · chains A

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

Pockets

5 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	107	0.62	0.88	30	empty
2	325	0.54	0.74	41	empty
3	103	0.39	0.76	24	FLC, GOL
4	71	0.30	0.73	18	empty
5	50	0.27	0.74	16	empty

Compared structures

6MLT · Crystal structure of the V. cholerae biofilm matrix protein Bap1 · 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 Q9KQW0
Elsewhere: RCSB PDB 6MLT · PDBe 6MLT · UniProt Q9KQW0

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