MolNFT v1 · #167589 · protein

Crystal structure of transcriptional regulator from bacteriophage 186

6VPE · Regulatory protein cii: “Crystal structure of transcriptional regulator from bacteriophage 186”. X-ray diffraction, 1 ligand (IOD), 3 pockets (best druggability 0.71). MolNFT v1 #167589 on GenesisL1: 3D structure, binding sites and…

PDB: 6VPE
Type: protein
Length: 285 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulatory protein cii
UniProt: P21678
Ligands: IOD
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulatory protein cii	protein	143	66% helix, 1% strand	P21678
B	Regulatory protein cii	protein	142	65% helix, 1% strand	P21678

Ligands and binding sites

IOD · Iodide ion · ion · 6 copies · chains A, B

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

Pockets

3 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	450	0.71	0.82	54	IOD
2	98	0.41	0.77	23	empty
3	62	0.31	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 2616 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6VPE · Crystal structure of transcriptional regulator from bacteriophage 186 · 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 P21678
Elsewhere: RCSB PDB 6VPE · PDBe 6VPE · UniProt P21678

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