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BioLiP

Structure of PDB 3lms Chain A Binding Site BS02

Receptor Information
>3lms Chain A (length=309) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASASYYEQYHSLNEIYSWIEFITERHPDMLTKIHIGSSFEKYPLYVLKVS
GKEQAAKNAIWIDCGIHAREWISPAFCLWFIGHITQFYGIIGQYTNLLRL
VDFYVMPVVNVDGYDYSWKKNRMWRKNRSFYANNHCIGTDLNRNFASKHW
CEEGASSSSCSETYCGLYPESEPEVKAVASFLRRNINQIKAYISMHSYSQ
HIVFPYSYTRSKSKDHEELSLVASEAVRAIEKTSKNTRYTHGHGSETLYL
APGGGDDWIYDLGIKYSFTIELRDTGTYGFLLPERYIKPTCREAFAAVSK
IAWHVIRNV
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3lms Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3lms Insights into the molecular inactivation mechanism of human activated thrombin-activatable fibrinolysis inhibitor
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R127 N144 R145 Y248
Binding residue
(residue number reindexed from 1)		R125 N142 R143 Y249
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H69 E72 R127 H196 E270
Catalytic site (residue number reindexed from 1) H67 E70 R125 H196 E271
Enzyme Commision number 3.4.17.20: carboxypeptidase U.
Gene Ontology
Molecular Function
GO:0004181 metallocarboxypeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
GO:0042730 fibrinolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3lms, PDBe:3lms, PDBj:3lms
PDBsum3lms
PubMed20088943
UniProtQ96IY4|CBPB2_HUMAN Carboxypeptidase B2 (Gene Name=CPB2)

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