MolNFT v1 · #58572 · protein

Leukotriene A4 hydrolase complexed with inhibitor RB3040

3B7R · Leukotriene a-4 hydrolase: “Leukotriene A4 hydrolase complexed with inhibitor RB3040”. X-ray diffraction, 3 ligands (BIR, ZN, YB), 6 pockets (best druggability 0.85). MolNFT v1 #58572 on GenesisL1: 3D structure, binding sites and…

PDB: 3B7R
Type: protein
Length: 610 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Leukotriene a-4 hydrolase
EC: 3.3.2.6
UniProt: P09960
Ligands: BIR, ZN, YB
Pockets: 6 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Leukotriene a-4 hydrolase (EC 3.3.2.6)	protein	610	44% helix, 23% strand	P09960

Ligands and binding sites

BIR · N-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine · ligand · chains L
ZN · Zinc ion · metal · chains L
YB · Ytterbium (III) ion · metal · chains L
IMD · Imidazole · additive · chains L

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

Pockets

6 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	1129	0.85	0.86	93	IMD, BIR
2	202	0.52	0.77	28	empty
3	92	0.51	0.83	18	empty
4	72	0.33	0.76	14	empty
5	56	0.30	0.75	11	empty

Compared structures

3B7R · Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 · the same entry in another collection · chain L against L, TM-score 1.00
P09960 · AlphaFold monomer V2.0 prediction for leukotriene a-4 hydrolase (P09960) · a predicted model of the same protein · chain L against A, TM-score 0.99

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 P09960
Elsewhere: RCSB PDB 3B7R · PDBe 3B7R · UniProt P09960

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