Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T37735 | Target Info | |||
| Target Name | Glutamate decarboxylase (GLUL) | ||||
| Synonyms | Glutamateammonia ligase | ||||
| Target Type | Discontinued Target | ||||
| Gene Name | GLUL | ||||
| Biochemical Class | Carbon-nitrogen ligase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2OJW Crystal structure of human glutamine synthetase in complex with ADP and phosphate | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
YFQSMASSHL
9 NKGIKQVYMS19 LPQGEKVQAM29 YIWIDGTGEG39 LRCKTRTLDS49 EPKCVEELPE 59 WNFDGSSTLQ69 SEGSNSDMYL79 VPAAMFRDPF89 RKDPNKLVLC99 EVFKYNRRPA 109 ETNLRHTCKR119 IMDMVSNQHP129 WFGMEQEYTL139 MGDGHPFGWP150 SNGFPGPQGP 160 YYCGVGADRA170 YGRDIVEAHY180 RACLYAGVKI190 AGTNAEVMPA200 QWEFQIGPCE 210 GISMGDHLWV220 ARFILHRVCE230 DFGVIATFDP240 KPIPGNWNGA250 GCHTNFSTKA 260 MREENGLKYI270 EEAIEKLSKR280 HQYHIRAYDP290 KGGLDNARRL300 TSNINDFSAG 315 VANRSASIRI325 PRTVGQEKKG335 YFEDRRPSAN345 CDPFSVTEAL355 IRTCLLNETG 365
|
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|
|
TRP130
3.461
PHE131
3.950
GLY132
3.547
MET133
4.180
GLU134
3.049
ALA191
3.738
ASN194
4.806
GLU203
3.105
GLN205
3.209
ILE206
3.709
GLY207
3.446
PRO208
3.371
|
|||||
| PDB ID: 2QC8 Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
NKGIKQVYMS
19 LPQGEKVQAM29 YIWIDGTGEG39 LRCKTRTLDS49 EPKCVEELPE59 WNFDGSSTLQ 69 SEGSNSDMYL79 VPAAMFRDPF89 RKDPNKLVLC99 EVFKYNRRPA109 ETNLRHTCKR 119 IMDMVSNQHP129 WFGMEQEYTL139 MGTDGHPFGW149 PSNGFPGPQG159 PYYCGVGADR 169 AYGRDIVEAH179 YRACLYAGVK189 IAGTNAEVMP199 AQWEFQIGPC209 EGISMGDHLW 219 VARFILHRVC229 EDFGVIATFD239 PKPIPGNWNG249 AGCHTNFSTK259 AMREENGLKY 269 IEEAIEKLSK279 RHQYHIRAYD289 PKGGLDNARR299 LTGFHETSNI309 NDFSAGVANR 319 SASIRIPRTV329 GQEKKGYFED339 RRPSANCDPF349 SVTEALIRTC359 LLNETG |
|||||
|
|
TRP130
3.391
PHE131
3.861
GLY132
3.558
MET133
4.086
GLU134
2.561
ALA191
3.735
ASN194
4.926
GLU203
2.904
GLN205
3.367
ILE206
3.857
GLY207
3.385
PRO208
3.326
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J Mol Biol. 2008 Jan 4;375(1):217-28. | ||||
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