Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56057 | Target Info | |||
| Target Name | Lysine-specific demethylase 6B (KDM6B) | ||||
| Synonyms | Lysine demethylase 6B; KIAA0346; Jumonji domain-containing protein 3; JmjC domain-containing protein 3; JMJD3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | KDM6B | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-Methyl-2-Propanol | Ligand Info | |||
| Canonical SMILES | CC(C)(C)O | ||||
| InChI | 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | ||||
| InChIKey | DKGAVHZHDRPRBM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 6386 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6F6D The catalytic domain of KDM6B in complex with H3(17-33)K18IA21M peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
ESYLSPAQSV
1166 KPKINTEEKL1176 PREKLNPPTP1186 SIYLESKRDA1196 FSPVLLQFCT1206 DPRNPITVIR 1216 GLAGSLRLNL1226 GLFSTKTLVE1236 ASGEHTVEVR1246 TQVQQPSDEN1256 WDLTGTRQIW 1266 PCESSRSHTT1276 IAKYAQYQAS1286 SFQESHIIKF1328 GTNIDLSDAK1338 RWKPQLQELL 1348 KLPAFMRVTS1358 TGNMLSHVGH1368 TILGMNTVQL1378 YMKVPGSRTP1388 GHQENNNFCS 1398 VNINIGPGDC1408 EWFAVHEHYW1418 ETISAFCDRH1428 GVDYLTGSWW1438 PILDDLYASN 1448 IPVYRFVQRP1458 GDLVWINAGT1468 VHWVQATGWC1478 NNIAWNVGPL1488 TAYQYQLALE 1498 RYEWNEVKNV1508 KSIVPMIHVS1518 WNVARTVKIS1528 DPDLFKMIKF1538 CLLQSMKHCQ 1548 VQRESLVRAG1558 KKIAYQGRVK1568 DEPAYYCNEC1578 DVEVFNILFV1588 TSENGSRNTY 1598 LVHCEGCARR1608 RSAGLQGVVV1618 LEQYRTEELA1628 QAYDAFTLAP1638 |
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ILE1188
2.726
TYR1189
4.703
LEU1190
2.736
ASP1195
3.458
ALA1196
4.900
SER1198
3.432
VAL1200
2.537
LEU1201
2.395
PHE1204
2.897
THR1231
3.082
THR1242
2.614
VAL1243
2.458
GLU1244
2.536
|
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| PDB ID: 5OY3 The structural basis of the histone demethylase KDM6B histone 3 lysine 27 specificity | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [1] |
| PDB Sequence |
ESYLSPAQSV
1166 KPKINTEEKL1176 PREKLNPPTP1186 SIYLESKRDA1196 FSPVLLQFCT1206 DPRNPITVIR 1216 GLAGSLRLNL1226 GLFSTKTLVE1236 ASGEHTVEVR1246 TQVQQPSDEN1256 WDLTGTRQIW 1266 PCESSRSHTT1276 IAKYAQYQAS1286 SFQESHIIKF1328 GTNIDLSDAK1338 RWKPQLQELL 1348 KLPAFMRVTS1358 TGNMLSHVGH1368 TILGMNTVQL1378 YMKVPGSRTP1388 GHQENNNFCS 1398 VNINIGPGDC1408 EWFAVHEHYW1418 ETISAFCDRH1428 GVDYLTGSWW1438 PILDDLYASN 1448 IPVYRFVQRP1458 GDLVWINAGT1468 VHWVQATGWC1478 NNIAWNVGPL1488 TAYQYQLALE 1498 RYEWNEVKNV1508 KSIVPMIHVS1518 WNVARTVKIS1528 DPDLFKMIKF1538 CLLQSMKHCQ 1548 VQRESLVRAG1558 KKIAYQGRVK1568 DEPAYYCNEC1578 DVEVFNILFV1588 TSEGSRNTYL 1599 VHCEGCARRR1609 SAGLQGVVVL1619 EQYRTEELAQ1629 AYDAFTLAPA1639 |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis of Histone Demethylase KDM6B Histone 3 Lysine 27 Specificity. Biochemistry. 2018 Feb 6;57(5):585-592. | ||||
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