MolNFT v1 · #50284 · protein

Crystal structure of ptlh with FE/ALPHA ketoglutarate bound

2RDQ · 1-deoxypentalenic acid 11-beta hydroxylase: “Crystal structure of ptlh with FE/ALPHA ketoglutarate bound”. X-ray diffraction, 3 ligands (AKG, MG, FE), 2 pockets (best druggability 0.74). MolNFT v1 #50284 on GenesisL1: 3D structure…

PDB: 2RDQ
Type: protein
Length: 265 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1-deoxypentalenic acid 11-beta hydroxylase
UniProt: Q82IZ1
Ligands: AKG, MG, FE
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	1-deoxypentalenic acid 11-beta hydroxylase	protein	265	26% helix, 24% strand	Q82IZ1

Ligands and binding sites

AKG · 2-oxoglutaric acid · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
FE · Fe (III) ion · metal · 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	429	0.74	0.83	40	AKG
2	53	0.28	0.74	16	empty

Compared structures

2RDQ · Crystal Structure of PtlH with Fe/alpha ketoglutarate bound · the same entry in another collection · chain A against A, TM-score 1.00
Q82IZ1 · AlphaFold monomer V2.0 prediction for 1-deoxypentalenic acid 11-beta- hydroxylase (Q82IZ1) · 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 Q82IZ1
Elsewhere: RCSB PDB 2RDQ · PDBe 2RDQ · UniProt Q82IZ1

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