Structure of PDB 1kq0 Chain A Binding Site BS03

Receptor Information
>1kq0 Chain A (length=354) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQTDPPSVPICDLYPNGVFPKGQECEYPEEKKALDQASEEIWNDFREAAE
AHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIKENGLNAGLAFPTGCS
LNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGRIIDCAFTVTFNPKYD
TLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVMESYEVEIDGKTYQVKP
IRNLNGHSIGQYRIHAGKTVPIIKGGEATRMEEGEVYAIETFGSTGKGVV
HDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINENFGTLAFCRRWLDRLG
ESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFEHTILLRPTCKEVVSR
GDDY
Ligand information
Ligand IDMED
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyFFEARJCKVFRZRR-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
CACTVS 3.341CSCC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameD-METHIONINE
ChEMBLCHEMBL1234268
DrugBankDB02893
ZINCZINC000001532766
PDB chain1kq0 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kq0 Human methionine aminopeptidase type 2 in complex with L- and D-methionine
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H231 D251 H339
Binding residue
(residue number reindexed from 1)		H107 D127 H215
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D251 D262 H331 H339 E364 E459
Catalytic site (residue number reindexed from 1) D127 D138 H207 H215 E240 E335
Enzyme Commision number 3.4.11.18: methionyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004177 aminopeptidase activity
GO:0004239 initiator methionyl aminopeptidase activity
GO:0005515 protein binding
GO:0008235 metalloexopeptidase activity
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0016485 protein processing
GO:0018206 peptidyl-methionine modification
GO:0031365 N-terminal protein amino acid modification
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kq0, PDBe:1kq0, PDBj:1kq0
PDBsum1kq0
PubMed16540317
UniProtP50579|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)

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