Target Information
| Target General Information | Top | |||||
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| Target ID |
T25164
(Former ID: TTDR00747)
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| Target Name |
Bacterial Flavohemoglobin (Bact hmp)
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| Synonyms |
Nitric oxide dioxygenase; NOD; NO oxygenase; Hemoglobin-like protein; HMP; Ferrisiderophore reductase B; Dihydropteridine reductase
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| Gene Name |
Bact hmp
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Various electron acceptors arealso reduced by HMP in vitro, including dihydropterine, ferrisiderophores, ferric citrate, cytochrome c, nitrite, S-nitrosoglutathione, and alkylhydroperoxides. However, it is unknown if these reactions are of any biological significance in vivo.
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| BioChemical Class |
Paired donor oxygen oxidoreductase
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| UniProt ID | ||||||
| EC Number |
EC 1.14.12.17
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| Sequence |
MLDAQTIATVKATIPLLVETGPKLTAHFYDRMFTHNPELKEIFNMSNQRNGDQREALFNA
IAAYASNIENLPALLPAVEKIAQKHTSFQIKPEQYNIVGEHLLATLDEMFSPGQEVLDAW GKAYGVLANVFINREAEIYNENASKAGGWEGTRDFRIVAKTPRSALITSFELEPVDGGAV AEYRPGQYLGVWLKPEGFPHQEIRQYSLTRKPDGKGYRIAVKREEGGQVSNWLHNHANVG DVVKLVAPAGDFFMAVADDTPVTLISAGVGQTPMLAMLDTLAKAGHTAQVNWFHAAENGD VHAFADEVKELGQSLPRFTAHTWYRQPSEADRAKGQFDSEGLMDLSKLEGAFSDPTMQFY LCGPVGFMQFTAKQLVDLGVKQENIHYECFGPHKVL Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket | PDB:1GVH | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
MLDAQTIATV
10 KATIPLLVET20 GPKLTAHFYD30 RMFTHNPELK40 EIFNMSNQRN50 GDQREALFNA 60 IAAYASNIEN70 LPALLPAVEK80 IAQKHTSFQI90 KPEQYNIVGE100 HLLATLDEMF 110 SPGQEVLDAW120 GKAYGVLANV130 FINREAEIYN140 ENASKAGGWE150 GTRDFRIVAK 160 TPRSALITSF170 ELEPVDGGAV180 AEYRPGQYLG190 VWLKPEGFPH200 QEIRQYSLTR 210 KPDGKGYRIA220 VKREEGGQVS230 NWLHNHANVG240 DVVKLVAPAG250 DFFMAVADDT 260 PVTLISAGVG270 QTPMLAMLDT280 LAKAGHTAQV290 NWFHAAENGD300 VHAFADEVKE 310 LGQSLPRFTA320 HTWYRQPSEA330 DRAKGQFDSE340 GLMDLSKLEG350 AFSDPTMQFY 360 LCGPVGFMQF370 TAKQLVDLGV380 KQENIHYECF390 GPHKVL
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ASN44
2.966
SER46
2.353
GLN48
3.107
ARG49
4.533
ASN50
3.059
LYS84
4.375
TYR188
3.331
ARG204
3.543
GLN205
2.674
TYR206
2.236
SER207
2.959
ALA220
2.899
VAL221
3.336
LYS222
2.891
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| References | Top | |||||
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| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 2 | The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unexpected geometry of the distal heme pocket. J Biol Chem. 2002 Jun 28;277(26):23725-32. | |||||
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