MolNFT v1 · #86393 · protein

Crystal structure of the peptidoglycan-associated lipoprotein from burkholderia pseudomallei

4B5C · Putative ompa family lipoprotein: “Crystal structure of the peptidoglycan-associated lipoprotein from burkholderia pseudomallei”. X-ray diffraction, 3 pockets (best druggability 0.79). MolNFT v1 #86393 on GenesisL1: 3D structure…

PDB: 4B5C
Type: protein
Length: 357 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative ompa family lipoprotein
UniProt: Q63RA7
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative ompa family lipoprotein	protein	119	40% helix, 18% strand	Q63RA7
B	Putative ompa family lipoprotein	protein	120	43% helix, 16% strand	Q63RA7
C	Putative ompa family lipoprotein	protein	118	42% helix, 16% strand	Q63RA7

Ligands and binding sites

ACT · Acetate ion · additive · 3 copies · chains A, B, C

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

Pockets

3 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	138	0.79	0.96	25	empty
2	412	0.69	0.81	46	empty
3	115	0.40	0.76	23	empty

Interfaces

3 interfaces between chains.

A–C · 620 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 571 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 169 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4B5C · Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia… · 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 Q63RA7
Elsewhere: RCSB PDB 4B5C · PDBe 4B5C · UniProt Q63RA7

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