MolNFT v1 · #157161 · protein

Crystal structure of GTPase domain of human septin 12 in complex with gmppnp in space group C2221

6MQB · Septin-12: “Crystal structure of GTPase domain of human septin 12 in complex with gmppnp in space group C2221”. X-ray diffraction, 2 ligands (GNP, MG), 3 pockets (best druggability 0.42). MolNFT v1 #157161 on GenesisL1: 3D…

PDB: 6MQB
Type: protein
Length: 267 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Septin-12
UniProt: Q8IYM1
Ligands: GNP, MG
Pockets: 3 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Septin-12	protein	267	37% helix, 21% strand	Q8IYM1

Ligands and binding sites

GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	91	0.42	0.78	25	GNP, MG
2	77	0.40	0.79	12	empty
3	52	0.30	0.75	11	empty

Compared structures

6MQB · Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP in Space… · the same entry in another collection · chain A against A, TM-score 1.00
Q8IYM1 · AlphaFold monomer V2.0 prediction for septin-12 (Q8IYM1) · 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 Q8IYM1
Elsewhere: RCSB PDB 6MQB · PDBe 6MQB · UniProt Q8IYM1

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