Structure of PDB 1boa Chain A Binding Site BS03

Receptor Information
>1boa 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]
KVQTDPPSVPICDLYPNGVFPKGQECEYPEKKALDQASEEIWNDFREAAE
AHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIKENGLNAGLAFPTGCS
LNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGRIIDCAFTVTFNPKYD
TLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVMESYEVEIDGKTYQVKP
IRNLNGHSIGQYRIHAGKTVPIIKGGEATRMEEGEVYAIETFGSTGKGVV
HDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINENFGTLAFCRRWLDRLG
ESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFEHTILLRPTCKEVVSR
GDDY
Ligand information
Ligand IDFUG
InChIInChI=1S/C26H36O7/c1-18(2)14-15-20-26(4,33-20)24-23(31-5)19(16-17-25(24,3)30)32-22(29)13-11-9-7-6-8-10-12-21(27)28/h6-14,19-20,23-24,30H,15-17H2,1-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t19-,20-,23-,24+,25-,26+/m1/s1
InChIKeyXXVWUXWNPOXVQB-ZFSLZHKLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C
OpenEye OEToolkits 1.5.0CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C
CACTVS 3.341CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)C=CC=CC=CC=CC(O)=O
CACTVS 3.341CO[C@@H]1[C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@H]2CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
ACDLabs 10.04O=C(O)\C=C\C=C\C=C\C=C\C(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C
FormulaC26 H36 O7
NameFUMAGILLIN
ChEMBL
DrugBank
ZINCZINC000015295075
PDB chain1boa Chain A Residue 480 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1boa Structure of human methionine aminopeptidase-2 complexed with fumagillin.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H231 N327 L328 N329 H331 I338 H339 H375 D376 Y444
Binding residue
(residue number reindexed from 1)		H107 N203 L204 N205 H207 I214 H215 H251 D252 Y320
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
View graph for
Cellular Component
External links
PDB RCSB:1boa, PDBe:1boa, PDBj:1boa
PDBsum1boa
PubMed9812898
UniProtP50579|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)

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