Structure of PDB 3bw7 Chain A Binding Site BS02 |
| >3bw7 Chain A (length=497) Species: 4577 (Zea mays)
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RPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTADL
VALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPP
RINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWTDYLYLTVGGTLSN
AGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQ
FGVITRARIAVEPAPARARWVRLVYTDFAAFSADQERLTAPRSFGPMSYV
EGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYD
NATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNK
LGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSM
WDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQ
YKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN |
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| Ligand ID | 301 |
| InChI | InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+ |
| InChIKey | ZZNYJUJEPRMVEH-OKBMCRLZSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C\C=C/C\C=N\c1c2c([nH]cn2)ncn1 | | OpenEye OEToolkits 1.5.0 | CC=CCC=Nc1c2c([nH]cn2)ncn1 | | CACTVS 3.341 | C\C=C/CC=Nc1ncnc2[nH]cnc12 | | ACDLabs 10.04 | n1c(\N=C\C\C=C/C)c2ncnc2nc1 | | CACTVS 3.341 | CC=CCC=Nc1ncnc2[nH]cnc12 |
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| Formula | C10 H11 N5 |
| Name | N6-(penta-2,3-dienyl)adenine;
N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103524914
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| PDB chain | 3bw7 Chain A Residue 1536
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| Catalytic site (original residue number in PDB) |
H105 D169 E288 |
| Catalytic site (residue number reindexed from 1) |
H74 D138 E251 |
| Enzyme Commision number |
1.5.99.12: cytokinin dehydrogenase. |
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