MolNFT v1 · #71118 · protein

Crystal structure of the second part of the mycobacterium tuberculosis DNA gyrase reaction core: the toprim domain at 1.95 a resolution

3M4I · DNA gyrase subunit B: “Crystal structure of the second part of the mycobacterium tuberculosis DNA gyrase reaction core: the toprim…”. X-ray diffraction, 2 pockets (best druggability 0.49). MolNFT v1 #71118 on GenesisL1: 3D…

PDB: 3M4I
Type: protein
Length: 190 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA gyrase subunit B
EC: 5.99.1.3
UniProt: P0C5C5
Pockets: 2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA gyrase subunit B (EC 5.99.1.3)	protein	190	45% helix, 18% strand	P0C5C5

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	168	0.49	0.77	30	empty
2	62	0.28	0.73	18	empty

Compared structures

3M4I · Crystal structure of the second part of the Mycobacterium tuberculosis DNA gyrase… · 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 P0C5C5
Elsewhere: RCSB PDB 3M4I · PDBe 3M4I · UniProt P0C5C5

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