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Structure of PDB 2pvw Chain A Binding Site BS04

Receptor Information >2pvw Chain A (length=690) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGL DSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVS DIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIARY GKVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQR GNILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQKL LEKMGGSAPPDSSWRGSLKVPYNVGPGFTGNFSTQKVKMHIHSTNEVTRI YNVIGTLRGAVEPDRYVILGGHRDSWVFGGIDPQSGAAVVHEIVRSFGTL KKEGWRPRRTILFASWDAEEFGLLGSTEWAEENSRLLQERGVAYINADSS IEGNYTLRVDCTPLMYSLVHNLTKELKSPDEGFEGKSLYESWTKKSPSPE FSGMPRISKLGSGNDFEVFFQRLGIASGRARYTKNNKFSGYPLYHSVYET YELVEKFYDPMFKYHLTVAQVRGGMVFELANSIVLPFDCRDYAVVLRKYA DKIYSISMKHPQEMKTYSVSFDSLFSAVKNFTEIASKFSERLQDFSNPIV LRMMNDQLMFLERAFIDPLGLPDRPFYRHVIYAPSSHNKYAGESFPGIYD ALFDIESKVDPSKAWGEVKRQIYVAAFTVQAAAETLSEVA

Ligand information Ligand ID G88 InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1 InChIKey ISEYJGQFXSTPMQ-SCSAIBSYSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)O)C(CP(=O)(O)O)C(=O)O CACTVS 3.341 OC(=O)CC[CH](C[P](O)(O)=O)C(O)=O ACDLabs 10.04 O=P(O)(O)CC(C(=O)O)CCC(=O)O OpenEye OEToolkits 1.5.0 C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O CACTVS 3.341 OC(=O)CC[C@H](C[P](O)(O)=O)C(O)=O Formula C6 H11 O7 P Name (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID ChEMBL CHEMBL189217 DrugBank ZINC ZINC000013470225 PDB chain 2pvw Chain A Residue 1768 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2pvw Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. Resolution 1.71 Å Binding residue (original residue number in PDB) R210 N257 D387 E424 E425 G518 Y552 H553 K699 Y700 Binding residue (residue number reindexed from 1) R155 N202 D332 E369 E370 G463 Y494 H495 K639 Y640 Annotation score 2 Binding affinity MOAD: ic50=0.3nM PDBbind-CN: -logKd/Ki=9.52,IC50=0.3nM BindingDB: Ki=0.280000nM,IC50=300nM,Kd=0.5nM,EC50=0.620000nM

Enzymatic activity Enzyme Commision number 3.4.17.21: glutamate carboxypeptidase II.

Gene Ontology Molecular Function GO:0004180 carboxypeptidase activity GO:0004181 metallocarboxypeptidase activity GO:0008233 peptidase activity GO:0008237 metallopeptidase activity GO:0016805 dipeptidase activity GO:0046872 metal ion binding GO:1904492 Ac-Asp-Glu binding GO:1904493 tetrahydrofolyl-poly(glutamate) polymer binding

	Biological Process
GO:0006508	proteolysis
GO:0006760	folic acid-containing compound metabolic process
GO:0035609	C-terminal protein deglutamylation

	Cellular Component
GO:0005737	cytoplasm
GO:0005886	plasma membrane
GO:0009986	cell surface
GO:0016020	membrane
GO:0070062	extracellular exosome

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