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Structure of a star mutant crp-camp at 2.2 a

Analyse Structure of a star mutant crp-camp at 2.2 a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1I6X
Type: protein
Length: 401 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Catabolite gene activator protein
UniProt: P0ACJ8
Ligands: CMP
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Catabolite gene activator protein	protein	201	39% helix, 29% strand	P0ACJ8
B	Catabolite gene activator protein	protein	200	39% helix, 31% strand	P0ACJ8

Ligands and binding sites

CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 3 copies · chains A, B
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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	0.76	0.85	49	TRS, CMP
2	127	0.71	0.92	27	CMP
3	246	0.58	0.79	22	empty
4	106	0.35	0.73	18	empty
5	75	0.30	0.74	18	empty

Interfaces

1 interface between chains.

A–B · 1678 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

1I6X · Structure of a star mutant crp-camp at 2.2 a · the same entry in another collection · chain A against A, TM-score 1.00
P0ACJ8 · AlphaFold monomer V2.0 prediction for camp-activated global transcriptional regulator crp… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P0ACJ8
Elsewhere: RCSB PDB 1I6X · PDBe 1I6X · UniProt P0ACJ8

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