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Receptor Information

>7vyp Chain B (length=674) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MLVLGLNGNFSAADTDVVPQLGEVFFHDSAASLIRDGELVAAVEEERLNR
IKKTTKFPLNAVRECLALAGARPEDVDAVGYYFPENHIDTVLNHLYTEYP
RAPLRYSRELIRQRLKEGLGWDLPDEKLVYVPHHEAHAYSSYLHSGMDSA
LVLVLDGRGELHSGTVYRAEGTRLEKLADYPVPKSLGGLYLNATYLLGYG
FGDEYKVMGLAPWGNPETYRDTFAKLYTLQDNGEYELHGNIMVPNLVSPL
FYAEGFRPRRKGEPFTQAHRDFAAALQETVEKIVLHILEYWAKTSGHSRL
CFGGGVAHNSSLNGLILKSGLFDEVFVHPASHDAGAGEGAAYAAAASLGT
LERPGKRLLSASLGPALGGREQIRARLADWAPLIDVEFPDDAVETAAGLL
AEGQVLGWAYGRSEFGPRALGHRSIVADARPEENRTRINAMVKKREGFRP
FAPVVTAEAARDYFDLSGADGNHEFMSFVVPVLPERRTELGAVTHVDGTA
RVQVVSAESGERFHRLVRRFGELTGTPVLLNTSFNNNAEPIVQSLDDVVT
SFLTTDLDVLVVEDCLVRGKASPDLGVLVPRFRPVTRLVERRTAGPDASA
GAKTHEIHLDYDGGPSAKVSPELYELLGAVDGTTTLGDLAKTVGGLSDAL
ATEVFALWEQRFLTLAPAGDIGPL

Ligand ID

82Z

InChI

InChI=1S/C27H35ClN2O7/c1-15-7-6-8-22(35-4)21(32)13-23(37-27(29)34)17(3)10-16(2)20(31)14-25(33)30-19-11-18(9-15)12-24(36-5)26(19)28/h6-8,10-12,17,20,22-23,31H,9,13-14H2,1-5H3,(H2,29,34)(H,30,33)/b8-6?,15-7+,16-10+/t17-,20-,22+,23-/m0/s1

InChIKey

ZVEKPDFJWUKDJA-RWGYLTEZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]1/C=C(/[C@H](CC(=O)Nc2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H](C(=O)C[C@@H]1OC(=O)N)OC)/C)O)\C
CACTVS 3.385	CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)OC(N)=O)C)c(Cl)c(OC)c2
CACTVS 3.385	CO[C@@H]1\C=C\C=C(/C)Cc2cc(NC(=O)C[C@H](O)\C(=C\[C@H](C)[C@H](CC1=O)OC(N)=O)C)c(Cl)c(OC)c2
OpenEye OEToolkits 2.0.7	CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1OC(=O)N)OC)C)O)C

Formula

C27 H35 Cl N2 O7

Name

[(5S,6E,8S,9S,12R,13E,15E)-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate

ChEMBL

DrugBank

ZINC

PDB chain

7vyp Chain A Residue 714 [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	7vyp Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Resolution	2.88 Å
Binding residue (original residue number in PDB)	M242 V243 P244
Binding residue (residue number reindexed from 1)	M242 V243 P244
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003824	catalytic activity
GO:0005524	ATP binding
GO:0046872	metal ion binding

	Biological Process
GO:0009058	biosynthetic process

PDB	RCSB:7vyp, PDBe:7vyp, PDBj:7vyp
PDBsum	7vyp
PubMed	36329057
UniProt	Q84G19

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Structure of PDB 7vyp Chain B Binding Site BS01