MolNFT v1 · #20791 · protein

Mycobacterium tuberculosis ftsz in complex with citrate

1RQ2 · Cell division protein ftsz: “Mycobacterium tuberculosis ftsz in complex with citrate”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #20791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1RQ2
Type: protein
Length: 593 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cell division protein ftsz
UniProt: P64170
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cell division protein ftsz	protein	300	47% helix, 25% strand	P64170
B	Cell division protein ftsz	protein	293	44% helix, 25% strand	P64170

Ligands and binding sites

CIT · Citric acid · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	435	0.71	0.82	58	empty
2	201	0.52	0.78	32	empty
3	178	0.50	0.77	31	empty
4	163	0.46	0.76	35	CIT
5	161	0.46	0.76	29	empty

Interfaces

1 interface between chains.

A–B · 1090 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1RQ2 · Mycobacterium tuberculosis ftsz in complex with citrate · 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 P64170
Elsewhere: RCSB PDB 1RQ2 · PDBe 1RQ2 · UniProt P64170

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