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Crystal structure of pbpa from mycobacterium tuberculosis

Analyse Crystal structure of pbpa from mycobacterium tuberculosis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UN7
Type: protein
Length: 869 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Penicillin-binding protein a
UniProt: P71586
Pockets: 13 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Penicillin-binding protein a	protein	439	34% helix, 21% strand	P71586
B	Penicillin-binding protein a	protein	430	35% helix, 22% strand	P71586

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	75	0.70	0.95	22	empty
2	53	0.67	0.96	17	empty
3	406	0.65	0.79	46	empty
4	399	0.62	0.77	47	empty
5	110	0.62	0.87	24	empty

Interfaces

1 interface between chains.

A–B · 608 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3UN7 · Crystal structure of PBPA from MYCOBACTERIUM TUBERCULOSIS · the same entry in another collection · chain B against B, 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 P71586
Elsewhere: RCSB PDB 3UN7 · PDBe 3UN7 · UniProt P71586

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