MolNFT v1 · #14588 · protein

Crystal structure of mycobacterium tuberculosis alkylperoxidase ahpd H132Q mutant

1ME5 · Alkylhydroperoxidase D: “Crystal structure of mycobacterium tuberculosis alkylperoxidase ahpd H132Q mutant”. X-ray diffraction, 2 pockets (best druggability 0.81). MolNFT v1 #14588 on GenesisL1: 3D structure, binding sites and…

PDB: 1ME5
Type: protein
Length: 515 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkylhydroperoxidase D
UniProt: P0A5N4
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alkylhydroperoxidase D	protein	173	69% helix, 0% strand	P0A5N4
C	Alkylhydroperoxidase D	protein	169	73% helix, 0% strand	P0A5N4

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	804	0.81	0.84	76	empty
2	63	0.31	0.75	16	empty

Interfaces

3 interfaces between chains.

A–B · 1559 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 1508 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 1429 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

1ME5 · Crystal Structure of Mycobacterium Tuberculosis Alkylperoxidase AhpD H132Q Mutant · 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 P0A5N4
Elsewhere: RCSB PDB 1ME5 · PDBe 1ME5 · UniProt P0A5N4

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