Structure of PDB 2c6c Chain A Binding Site BS04

Receptor Information
>2c6c Chain A (length=682) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGLD
SVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVSD
IVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIARYG
KVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQRG
NILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQKLL
EKMGGSAPPDSSWRGSLKVPYNVGPGFSTQKVKMHIHSTNEVTRIYNVIG
TLRGAVEPDRYVILGGHRDSWVFGGIDPQSGAAVVHEIVRSFGTLKKEGW
RPRRTILFASWDAEEFGLLGSTEWAEENSRLLQERGVAYINADSSIEGNY
TLRVDCTPLMYSLVHNLTKELKSPDEGFEGKSLYESWTKKSPSPEFSGMP
RISKLGSGNDFEVFFQRLGIASGRARYTKNSGYPLYHSVYETYELVEKFY
DPMFKYHLTVAQVRGGMVFELANSIVLPFDCRDYAVVLRKYADKIYSISM
KHPQEMKTYSVSFDSLFSAVKNFTEIASKFSERLQDFDNPIVLRMMNDQL
MFLERAFIDPLGLPDRPFYRHVIYAPSSHNKYAGESFPGIYDALFDIESK
VDPSKAWGEVKRQIYVAAFTVQAAAETLSEVA
Ligand information
Ligand ID24I
InChIInChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyPPTCQJLGUKWAEP-SNVBAGLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CP(=O)(CC(CCC(=O)O)C(=O)O)O)I
CACTVS 3.341OC(=O)CC[C@H](C[P@](O)(=O)Cc1ccc(I)cc1)C(O)=O
ACDLabs 10.04Ic1ccc(cc1)CP(=O)(O)CC(C(=O)O)CCC(=O)O
CACTVS 3.341OC(=O)CC[CH](C[P](O)(=O)Cc1ccc(I)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I
FormulaC13 H16 I O6 P
Name(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
ChEMBL
DrugBankDB06928
ZINCZINC000016051858
PDB chain2c6c Chain A Residue 1767 [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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PDB2c6c Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R210 N257 D387 E424 E425 D453 S454 G518 Y552 H553 K699 Y700
Binding residue
(residue number reindexed from 1)		R154 N201 D327 E364 E365 D393 S394 G458 Y486 H487 K631 Y632
Annotation score1
Binding affinityMOAD: ic50=30nM
PDBbind-CN: -logKd/Ki=7.52,IC50=30nM
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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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2c6c, PDBe:2c6c, PDBj:2c6c
PDBsum2c6c
PubMed16467855
UniProtQ04609|FOLH1_HUMAN Glutamate carboxypeptidase 2 (Gene Name=FOLH1)

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