MolNFT v1 · #87358 · protein

APO GLXR

4BYY · Transcriptional regulator, CRP/FNR family: “APO GLXR”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.78). MolNFT v1 #87358 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BYY
Type: protein
Length: 428 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, CRP/FNR family
UniProt: Q79VI7
Ligands: PO4
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, CRP/FNR family	protein	226	46% helix, 26% strand	Q79VI7
B	Transcriptional regulator, CRP/FNR family	protein	202	46% helix, 24% strand	Q79VI7

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	693	0.78	0.83	59	PO4
2	1086	0.74	0.77	94	PO4
3	84	0.40	0.78	17	empty
4	56	0.35	0.79	16	empty
5	59	0.29	0.74	19	empty

Interfaces

1 interface between chains.

A–B · 1538 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4BYY · Apo GlxR · the same entry in another collection · chain A against A, TM-score 1.00
Q79VI7 · AlphaFold monomer V2.0 prediction for crp-like camp-activated global transcriptional… · a predicted model of the same protein · chain A against A, TM-score 0.91

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 Q79VI7
Elsewhere: RCSB PDB 4BYY · PDBe 4BYY · UniProt Q79VI7

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