MolNFT v1 · #129120 · protein

M. tuberculosis [4FE-4S] protein WHIB1 is a four-helix bundle that forms a no-sensitive complex with sigmaa and regulates the major virulence factor esx-1

5OAY · Transcriptional regulator WHIB1: “M. tuberculosis [4FE-4S] protein WHIB1 is a four-helix bundle that forms a no-sensitive complex with sigmaa…”. Solution nmr, 1 ligand (SF4), 2 pockets (best druggability 0.52). MolNFT v1 #129120 on…

PDB: 5OAY
Type: protein
Length: 76 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator WHIB1
UniProt: P9WF43
Ligands: SF4
Pockets: 2 · best druggability 0.52

Structure

solution nmr · 1 distinct chain · 63% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator WHIB1	protein	76	63% helix, 0% strand	P9WF43

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	67	0.52	0.86	20	SF4
2	59	0.32	0.77	15	empty

Compared structures

5OAY · M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive… · the same entry in another collection · chain A against A, TM-score 1.00
P9WF43 · AlphaFold monomer V2.0 prediction for transcriptional regulator WHIB1 (P9WF43) · a predicted model of the same protein · chain A against A, TM-score 0.45

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 P9WF43
Elsewhere: RCSB PDB 5OAY · PDBe 5OAY · UniProt P9WF43

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