MolNFT v1 · #110309 · protein

Crystal structure of anabaena ALR3699/HEPE in complex with udp

4XSP · ALR3699 protein: “Crystal structure of anabaena ALR3699/HEPE in complex with udp”. X-ray diffraction, 1 ligand (UDP), 4 pockets (best druggability 0.75). MolNFT v1 #110309 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4XSP
Type: protein
Length: 729 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALR3699 protein
UniProt: Q8YQW3
Ligands: UDP
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	ALR3699 protein	protein	364	49% helix, 17% strand	Q8YQW3
A	ALR3699 protein	protein	365	49% helix, 18% strand	Q8YQW3

Ligands and binding sites

UDP · Uridine-5'-diphosphate · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains B, A

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

Pockets

4 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	840	0.75	0.79	68	UDP, GOL
2	831	0.69	0.75	66	GOL
3	117	0.42	0.76	16	empty
4	121	0.38	0.74	18	empty

Interfaces

1 interface between chains.

B–A · 1060 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4XSP · Crystal structure of Anabaena Alr3699/HepE in complex with UDP · the same entry in another collection · chain B against B, 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 Q8YQW3
Elsewhere: RCSB PDB 4XSP · PDBe 4XSP · UniProt Q8YQW3

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