MolNFT v1 · #109799 · protein

Coagulation factor XII protease domain crystal structure

4XDE: “Coagulation factor XII protease domain crystal structure”. X-ray diffraction, 4 pockets (best druggability 0.46). MolNFT v1 #109799 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XDE
Type: protein
Length: 241 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Coagulation factor XII
EC: 3.4.21.38
UniProt: P00748
Pockets: 4 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Coagulation factor XII (EC 3.4.21.38)	protein	241	11% helix, 33% strand	P00748

Ligands and binding sites

IPA · Isopropyl alcohol · additive · 2 copies · chains A
FLC · Citrate anion · additive · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	132	0.46	0.77	25	empty
2	62	0.44	0.83	19	empty
3	113	0.42	0.77	18	empty
4	55	0.40	0.81	14	IPA

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4XDE · Coagulation Factor XII protease domain crystal structure · the same entry in another collection · chain A against A, TM-score 1.00
P00748 · AlphaFold monomer V2.0 prediction for coagulation factor XII (P00748) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 P00748
Elsewhere: RCSB PDB 4XDE · PDBe 4XDE · UniProt P00748

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