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Receptor Information

>1b6a Chain A (length=355) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KVQTDPPSVPICDLYPNGVFPKGQECEYPEEKKALDQASEEIWNDFREAA
EAHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIKENGLNAGLAFPTGC
SLNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGRIIDCAFTVTFNPKY
DTLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVMESYEVEIDGKTYQVK
PIRNLNGHSIGQYRIHAGKTVPIVKGGEATRMEEGEVYAIETFGSTGKGV
VHDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINENFGTLAFCRRWLDRL
GESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFEHTILLRPTCKEVVS
RGDDY

Ligand ID

TN4

InChI

InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1

InChIKey

OUUSPVSSNHLIGE-AGYLCKTBSA-N

SMILES

Software	SMILES
ACDLabs 12.01	ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C
OpenEye OEToolkits 1.7.2	CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)NC(=O)CCl)OC)C
CACTVS 3.370	CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)NC(=O)CCl
OpenEye OEToolkits 1.7.2	CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C
CACTVS 3.370	CO[C@@H]1[C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@H]2CC=C(C)C)OC(=O)NC(=O)CCl

Formula

C19 H30 Cl N O6

Name

(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate;
TNP-470 (Open form)

PDB chain

1b6a 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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Structure summary

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PDB	1b6a Structure of human methionine aminopeptidase-2 complexed with fumagillin.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	H231 N327 L328 N329 H331 I338 H339 Y444
Binding residue (residue number reindexed from 1)	H108 N204 L205 N206 H208 I215 H216 Y321
Annotation score	1
Binding affinity	BindingDB: IC50=1nM,Ki=1nM

Catalytic site (original residue number in PDB)	D251 D262 H331 H339 E364 E459
Catalytic site (residue number reindexed from 1)	D128 D139 H208 H216 E241 E336
Enzyme Commision number	3.4.11.18: methionyl aminopeptidase.

	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

PDB	RCSB:1b6a, PDBe:1b6a, PDBj:1b6a
PDBsum	1b6a
PubMed	9812898
UniProt	P50579\|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)

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Structure of PDB 1b6a Chain A Binding Site BS03