Structure of PDB 3pc4 Chain A Binding Site BS02 |
| >3pc4 Chain A (length=504) Species: 7227 (Drosophila melanogaster)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
YERPADFIDPGKPSKCKWHLGTAEKSPHIHRGIAHRQQITPNILEVIGCT
PLVKLNNIPASDGIECEMYAKCEFLNPGGSVKDRIGYRMVQDAEEQGLLK
PGYTIIEPTSGNTGIGLAMACAVKGYKCIIVMPEKMSNEKVSALRTLGAK
IIRTPTEAAYDSPEGLIYVAQQLQRETPNSIVLDQYRNAGNPLAHYDGTA
AEILWQLDNKVDMIVVSAGTAGTISGIGRKIKEQVPSCQIVGVDPYGSIL
ARPAELNKTDVQFYEVEGIGYDFPPTVFDDTVVDVWTKIGDSDCFPMSRR
LNAEEGLLCGGSSGGAMHAALEHARKLKKGQRCVVILPDGIRNYMTKFVS
DNWMEARNFKEPVNEHGHWWWSLAIAELELPAPPVILKSDATVGEAIALM
KKHRVDQLPVVDQDDGSVLGVVGQETLITQIVSMNRQQSDPAIKALNKRV
IRLNESEILGKLARVLEVDPSVLILGKNPAGKVELKALATKLDVTTFIAA
GKQK |
|
|
| Ligand ID | KOU |
| InChI | InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m0/s1 |
| InChIKey | ZTQZHYMXYBDMIL-BIMOUXMDSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CO)C(O)=O)c1O | | OpenEye OEToolkits 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O | | OpenEye OEToolkits 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO)C(=O)O)O | | CACTVS 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO)C(O)=O)c1O | | ACDLabs 12.01 | O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO |
|
| Formula | C11 H15 N2 O8 P |
| Name | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058650511
|
| PDB chain | 3pc4 Chain A Residue 702
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Catalytic site (original residue number in PDB) |
K88 S318 |
| Catalytic site (residue number reindexed from 1) |
K82 S312 |
| Enzyme Commision number |
4.2.1.22: cystathionine beta-synthase. |
|
|
|
|
|
