MolNFT v1 · #1700 · protein

Regulator from escherichia COLI

1B9N · Protein (mode): “Regulator from escherichia COLI”. X-ray diffraction, 1 ligand (NI), 8 pockets (best druggability 0.49). MolNFT v1 #1700 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1B9N
Type: protein
Length: 503 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (mode)
UniProt: P0A9G8
Ligands: NI
Pockets: 8 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (mode)	protein	258	35% helix, 32% strand	P0A9G8
B	Protein (mode)	protein	245	36% helix, 33% strand	P0A9G8

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A

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

Pockets

8 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	151	0.49	0.78	27	empty
2	126	0.45	0.78	19	empty
3	159	0.43	0.75	19	empty
4	107	0.42	0.77	18	empty
5	118	0.40	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 2978 Å² buried · 53 hydrogen bonds · protein-protein

Compared structures

1B9N · Regulator from escherichia COLI · the same entry in another collection · chain A against A, TM-score 1.00
P0A9G8 · AlphaFold monomer V2.0 prediction for DNA-binding transcriptional dual regulator mode… · a predicted model of the same protein · chain A against A, TM-score 0.80

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 P0A9G8
Elsewhere: RCSB PDB 1B9N · PDBe 1B9N · UniProt P0A9G8

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