MolNFT v1 · #97977 · protein

GTPase domain of septin 10 from schistosoma mansoni in complex with GTP

4KVA: “GTPase domain of septin 10 from schistosoma mansoni in complex with GTP”. X-ray diffraction, 2 ligands (GTP, MG), 4 pockets (best druggability 0.71). MolNFT v1 #97977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4KVA
Type: protein
Length: 504 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Septin
UniProt: G4VFI8
Ligands: GTP, MG
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Septin	protein	246	41% helix, 20% strand	G4VFI8
B	Septin	protein	258	41% helix, 22% strand	G4VFI8

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

4 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	410	0.71	0.82	51	empty
2	227	0.56	0.79	39	GTP
3	214	0.56	0.79	44	GTP
4	73	0.30	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 972 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4KVA · GTPase domain of Septin 10 from Schistosoma mansoni in complex with GTP · 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 G4VFI8
Elsewhere: RCSB PDB 4KVA · PDBe 4KVA · UniProt G4VFI8

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