Brand  (β version)

PDB ID: 5OHI

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
9V8 [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate PoSSuM
CA Calcium ion PoSSuM
CL Chloride ion PoSSuM
K Potassium ion PoSSuM
NA Sodium ion PoSSuM
P3G 3,6,9,12,15-pentaoxaheptadecane PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
BMA Beta-D-mannopyranose
MAN Alpha-D-mannopyranose
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
Code Name Show

Structure summary

Code : 5OHI   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of autotaxin in complex with BI-2545
Release Data : 2018-01-03
Compound :
mol_id molecule chains synonym
1 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 A E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD
ec: 3.1.4.39
Source :
mol_id organism_scientific organism_common expression_system
1 Mus musculus  (taxid:10090) House Mouse Homo sapiens  (taxid:9606)
gene: Enpp2, Npps2, Pdnp2
expression_system_common: Human
expression_system_cell_line: HEK293 Gnt1
expression_system_vector_type: plasmid
expression_system_plasmid: pCDNA5/FRT
Authors : Hoerer, S.
Keywords : PHOSPHOLIPASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.66 Å )
Citation :

Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.

Kuttruff, C.A.,Ferrara, M.,Bretschneider, T.  et al.
(2017)  ACS Med Chem Lett  8 : 1252 - 1257

PubMed: 29259743
DOI: 10.1021/acsmedchemlett.7b00312

Reaction

Chain : A
UniProt : Q9R1E6 (ENPP2_MOUSE)
Reaction: EC: Evidence:
Physiological Direction:
1-O-alkyl-sn-glycero-3-phosphoethanolamine + H2O = 1-O-alkyl- sn-glycero-3-phosphate + ethanolamine + H(+) 3.1.4.39 PubMed:17208043, PubMed:18175805, PubMed:21240269, PubMed:23688339, PubMed:27780639
-
1-O-(9Z-octadecenyl)-sn-glycero-3-phosphocholine + H2O = 1-O- (9Z-octadecenyl)-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
a 2-acyl-sn-glycero-3-phosphocholine + H2O = a 2-acyl-sn- glycerol 3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
a 2-acyl-sn-glycero-3-phospho-L-serine + H2O = a 2-acyl-sn- glycerol 3-phosphate + H(+) + L-serine - UniProtKB:Q13822
left-to-right
1-dodecanoyl-sn-glycero-3-phosphocholine + H2O = 1-dodecanoyl- sn-glycerol 3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
H2O + sphing-4-enine-phosphocholine = choline + H(+) + sphing- 4-enine 1-phosphate - UniProtKB:Q13822
left-to-right
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine + H2O = 1-(9Z- octadecenoyl)-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-tetradecanoyl-sn-glycero-3-phosphocholine + H2O = 1- tetradecanoyl-sn-glycerol 3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-decanoyl-sn-glycero-3-phosphocholine + H2O = 1-decanoyl-sn- glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-hexadecanoyl-sn-glycero-3-phosphocholine + H2O = 1- hexadecanoyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-octadecanoyl-sn-glycero-3-phosphocholine + H2O = 1- octadecanoyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholine + H2O = 1-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine + H2O = 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-O-hexadecyl-sn-glycero-3-phosphocholine + H2O = 1-O- hexadecyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-hexanoyl-sn-glycero-3-phosphocholine + H2O = 1-hexanoyl-sn- glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1,2-dioctanoyl-sn-glycero-3-phosphocholine + H2O = 1,2- dioctanoyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1,2-didecanoyl-sn-glycero-3-phosphocholine + H2O = 1,2- didecanoyl-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-O-(1Z-alkenyl)-sn-glycero-3-phosphocholine + H2O = 1-O-(1Z- alkenyl)-sn-glycero-3-phosphate + choline + H(+) - UniProtKB:Q13822
left-to-right
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine + H2O = 1-(9Z-octadecenoyl)-sn-glycero-3-phosphate + ethanolamine + H(+) - UniProtKB:Q64610
left-to-right
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-L-serine + H2O = 1- (9Z-octadecenoyl)-sn-glycero-3-phosphate + H(+) + L-serine - UniProtKB:Q64610
left-to-right