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Receptor Information

>7vzn Chain B (length=679) 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
ATEVFALWEQRFLTLAPAGDIGPLADDGT

Ligand ID

83Z

InChI

InChI=1S/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6?,15-7+,17-10+/t16-,20-,21-,23+/m0/s1

InChIKey

FDXIJEQRVYBNHT-SCFILQMVSA-N

SMILES

Software	SMILES
CACTVS 3.385	CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](O)CC1=O)C)c(Cl)c(OC)c2
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]1O)OC)/C)O)\C
OpenEye OEToolkits 2.0.7	CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1O)OC)C)O)C
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](O)CC1=O)C)c(Cl)c(OC)c2

Formula

C26 H34 Cl N O6

Name

(5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione

ChEMBL

DrugBank

ZINC

PDB chain

7vzn Chain A Residue 702 [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	7vzn Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Resolution	2.1 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:7vzn, PDBe:7vzn, PDBj:7vzn
PDBsum	7vzn
PubMed	36329057
UniProt	Q84G19

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Structure of PDB 7vzn Chain B Binding Site BS01