Structure of PDB 7ec0 Chain A Binding Site BS01

Receptor Information

>7ec0 Chain A (length=255) Species: 7091 (Bombyx mori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SSMQRRDALNSLTEYLPKFKWKESKEKILDIGCADGSVTNIISSCCPDFE
LFEACDVNVKSVKYATEHYGTSKMRFRVMDIESDLPKEMKGKFDHVFSFY
TLHWIENQEKAFQNIYDLTADDGECFLTLLAQMPVFNLFDALKHTEKWRH
WLRYIKNFISPYYETSDPDVVIELLLKRVGFRYVDVRCRQKKFEFYDLKS
FRNLLEAVSPFKVGQELQEELIDDVMEVAKEMRIIDTQNSTAKLIYNLVV
IHCRK

Ligand information

Ligand ID

SAH

InChI

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

InChIKey

ZJUKTBDSGOFHSH-WFMPWKQPSA-N

SMILES

Software	SMILES
CACTVS 3.341	N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

Formula

C14 H20 N6 O5 S

Name

S-ADENOSYL-L-HOMOCYSTEINE

PDB chain

7ec0 Chain A Residue 301 [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	7ec0 Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
Resolution	2.494 Å
Binding residue (original residue number in PDB)	Q15 G43 A45 V49 D68 V69 D92 F111 Y112 W116
Binding residue (residue number reindexed from 1)	Q4 G32 A34 V38 D56 V57 D80 F99 Y100 W104
Annotation score	4

External links

PDB	RCSB:7ec0, PDBe:7ec0, PDBj:7ec0
PDBsum	7ec0
PubMed	34562453

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