Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10735 | Target Info | |||
| Target Name | Histidine decarboxylase (HDC) | ||||
| Synonyms | Human histidine decarboxylase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HDC | ||||
| Biochemical Class | Carbon-carbon lyase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Pyridoxal phosphate | Ligand Info | |||
| Canonical SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O | ||||
| InChI | 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) | ||||
| InChIKey | NGVDGCNFYWLIFO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1051 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4E1O Human histidine decarboxylase complex with Histidine methyl ester (HME) | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
SMEPEEYRER
10 GREMVDYICQ20 YLSTVRERRV30 TPDVQPGYLR40 AQLPESAPED50 PDSWDSIFGD 60 IERIIMPGVV70 HWQSPHMHAY80 YPALTSWPSL90 LGDMLADAIN100 CLGFTWASSP 110 ACTELEMNVM120 DWLAKMLGLP130 EHFLHHHPSS140 QGGGVLQSTV150 SESTLIALLA 160 ARKNKILEMK170 TSEPDADESS180 LNARLVAYAS190 DQAHSSVEKA200 GLISLVKMKF 210 LPVDDNFSLR220 GEALQKAIEE230 DKQRGLVPVF240 VCATLGTTGV250 CAFDLSELGP 261 ICAREGLWLH271 IDAAYAGTAF281 LCPEFRGFLK291 GIEYADSFTF301 NPSKWMMVHF 311 DCTGFWVKDK321 YKLQQTFSVN331 PIYLRHANSG341 VATDFMHWQI351 PLSRRFRSVK 361 LWFVIRSFGV371 KNLQAHVRHG381 TEMAKYFESL391 VRNDPSFEIP401 AKRHLGLVVF 411 RLKGPNSLTE421 NVLKEIAKAG431 RLFLIPATIQ441 DKLIIRFTVT451 SQFTTRDDIL 461 RDWNLIRDAA471 TLILSQ
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| PDB ID: 7EIX Human histidine decarboxylase mutant Y334F | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
MEPEEYRERG
11 REMVDYICQY21 LSTVRERRVT31 PDVQPGYLRA41 QLPESAPEDP51 DSWDSIFGDI 61 ERIIMPGVVH71 WQSPHMHAYY81 PALTSWPSLL91 GDMLADAINC101 LGFTWASSPA 111 CTELEMNVMD121 WLAKMLGLPE131 HFLHHHPSSQ141 GGGVLQSTVS151 ESTLIALLAA 161 RKNKILEMKT171 SEPDADESSL181 NARLVAYASD191 QAHSSVEKAG201 LISLVKMKFL 211 PVDDNFSLRG221 EALQKAIEED231 KQRGLVPVFV241 CATLGTTGVC251 AFDLSELGPI 262 CAREGLWLHI272 DAAYAGTAFL282 CPEFRGFLKG292 IEYADSFTFN302 PSKWMMVHFD 312 CTGFWVKDKY322 KLQQTFSVNP332 VATDFMHWQI351 PLSRRFRSVK361 LWFVIRSFGV 371 KNLQAHVRHG381 TEMAKYFESL391 VRNDPSFEIP401 AKRHLGLVVF411 RLKGPNSLTE 421 NVLKEIAKAG431 RLFLIPATIQ441 DKLIIRFTVT451 SQFTTRDDIL461 RDWNLIRDAA 471 TLILSQ
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| PDB ID: 7EIW Human histidine decarboxylase mutant Y334F reacted with histidine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
MEPEEYRERG
11 REMVDYICQY21 LSTVRERRVT31 PDVQPGYLRA41 QLPESAPEDP51 DSWDSIFGDI 61 ERIIMPGVVH71 WQSPHMHAYY81 PALTSWPSLL91 GDMLADAINC101 LGFTWASSPA 111 CTELEMNVMD121 WLAKMLGLPE131 HFLHHHPSSQ141 GGGVLQSTVS151 ESTLIALLAA 161 RKNKILEMKT171 SEPDADESSL181 NARLVAYASD191 QAHSSVEKAG201 LISLVKMKFL 211 PVDDNFSLRG221 EALQKAIEED231 KQRGLVPVFV241 CATLGTTGVC251 AFDLSELGPI 262 CAREGLWLHI272 DAAYAGTAFL282 CPEFRGFLKG292 IEYADSFTFN302 PSKWMMVHFD 312 CTGFWVKDKY322 KLQQTFSVNP332 GVATDFMHWQ350 IPLSRRFRSV360 KLWFVIRSFG 370 VKNLQAHVRH380 GTEMAKYFES390 LVRNDPSFEI400 PAKRHLGLVV410 FRLKGPNSLT 420 ENVLKEIAKA430 GRLFLIPATI440 QDKLIIRFTV450 TSQFTTRDDI460 LRDWNLIRDA 470 ATLILSQ
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| PDB ID: 7EIY Human histidine decarboxylase mutant Y334F soaking with histidine | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
MEPEEYRERG
11 REMVDYICQY21 LSTVRERRVT31 PDVQPGYLRA41 QLPESAPEDP51 DSWDSIFGDI 61 ERIIMPGVVH71 WQSPHMHAYY81 PALTSWPSLL91 GDMLADAINC101 LGFTWASSPA 111 CTELEMNVMD121 WLAKMLGLPE131 HFLHHHPSSQ141 GGGVLQSTVS151 ESTLIALLAA 161 RKNKILEMKT171 SEPDADESSL181 NARLVAYASD191 QAHSSVEKAG201 LISLVKMKFL 211 PVDDNFSLRG221 EALQKAIEED231 KQRGLVPVFV241 CATLGTTGVC251 AFDLSELGPI 262 CAREGLWLHI272 DAAYAGTAFL282 CPEFRGFLKG292 IEYADSFTFN302 PSKWMMVHFD 312 CTGFWVKDKY322 KLQQTFSVNP332 GVATDFMHWQ350 IPLSRRFRSV360 KLWFVIRSFG 370 VKNLQAHVRH380 GTEMAKYFES390 LVRNDPSFEI400 PAKRHLGLVV410 FRLKGPNSLT 420 ENVLKEIAKA430 GRLFLIPATI440 QDKLIIRFTV450 TSQFTTRDDI460 LRDWNLIRDA 470 ATLILS
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural study reveals that Ser-354 determines substrate specificity on human histidine decarboxylase. J Biol Chem. 2012 Aug 17;287(34):29175-83. | ||||
| REF 2 | Structural analysis of the HDC Y334F mutant. doi:10.14533/jbm.21.69. | ||||
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