Structure of PDB 6skh Chain A Binding Site BS05

Receptor Information
>6skh Chain A (length=696) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFG
LDSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENV
SDIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIAR
YGKVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQ
RGNILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQK
LLEKMGGSAPPDSSWRGSLKVPYNVGPGFTGNFSTQKVKMHIHSTNEVTR
IYNVIGTLRGAVEPDRYVILGGHRDSWVFGGIDPQSGAAVVHEIVRSFGT
LKKEGWRPRRTILFASWDAMEFGLLGSTEWAEENSRLLQERGVAYINADS
SIEGNYTLRVDCTPLMYSLVHNLTKELKSPDEGFEGKSLYESWTKKSPSP
EFSGMPRISKLGSGNDFEVFFQRLGIASGRARYTKNWETNKFSGYPLYHS
VYETYELVEKFYDPMFKYHLTVAQVRGGMVFELANSIVLPFDCRDYAVVL
RKYADKIYSISMKHPQEMKTYSVSFDSLFSAVKNFTEIASKFSERLQDFD
KSNPIVLRMMNDQLMFLERAFIDPLGLPDRPFYRHVIYAPSSHNKYAGES
FPGIYDALFDIESKVDPSKAWGEVKRQIYVAAFTVQAAAETLSEVA
Ligand information
Ligand IDLHK
InChIInChI=1S/C9H14N2O10S/c12-6(13)2-1-4(8(16)17)10-22(20,21)11-5(9(18)19)3-7(14)15/h4-5,10-11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5-/m0/s1
InChIKeyYMLMAINCBMGBCN-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CC[C@H](N[S](=O)(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(C(=O)O)NS(=O)(=O)NC(CC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)=O)C(O)=O)C(O)=O
FormulaC9 H14 N2 O10 S
Name(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain6skh Chain A Residue 829 [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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PDB6skh X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp
Resolution1.58 Å
Binding residue
(original residue number in PDB)		R210 M424 D453 S454 G518 N519 R534 R536 Y552 H553 K699 Y700
Binding residue
(residue number reindexed from 1)		R156 M370 D399 S400 G464 N465 R480 R482 Y498 H499 K645 Y646
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6skh, PDBe:6skh, PDBj:6skh
PDBsum6skh
PubMed38224368
UniProtQ04609|FOLH1_HUMAN Glutamate carboxypeptidase 2 (Gene Name=FOLH1)

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