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Receptor Information

>7vyp Chain A (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)	V24 F25 H27 H87 G157 R158 L191 F201 D333
Binding residue (residue number reindexed from 1)	V24 F25 H27 H87 G157 R158 L191 F201 D333
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 A Binding Site BS03