MolNFT v1 · #121698 · protein

Unligated adenylosuccinate synthetase from cryptococcus neoformans

5I33: “Unligated adenylosuccinate synthetase from cryptococcus neoformans”. X-ray diffraction, 7 pockets (best druggability 0.85). MolNFT v1 #121698 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5I33
Type: protein
Length: 763 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylosuccinate synthetase
EC: 6.3.4.4
UniProt: J9VI09
Pockets: 7 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylosuccinate synthetase (EC 6.3.4.4)	protein	384	34% helix, 27% strand	J9VI09
B	Adenylosuccinate synthetase (EC 6.3.4.4)	protein	379	35% helix, 25% strand	J9VI09

Pockets

7 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	261	0.85	0.97	32	empty
2	649	0.70	0.78	70	empty
3	421	0.64	0.78	53	empty
4	100	0.39	0.76	21	empty
5	95	0.37	0.76	22	empty

Interfaces

1 interface between chains.

A–B · 2419 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

5I33 · Unligated adenylosuccinate synthetase from Cryptococcus neoformans · the same entry in another collection · chain A against A, 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 J9VI09
Elsewhere: RCSB PDB 5I33 · PDBe 5I33 · UniProt J9VI09

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