Target Information

Target General Information

Target ID

T25164 (Former ID: TTDR00747)

Target Name

Bacterial Flavohemoglobin (Bact hmp)

Synonyms

Nitric oxide dioxygenase; NOD; NO oxygenase; Hemoglobin-like protein; HMP; Ferrisiderophore reductase B; Dihydropteridine reductase

Click to Show/Hide

Gene Name

Bact hmp

Target Type

Literature-reported target

[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.

Click to Show/Hide

BioChemical Class

Paired donor oxygen oxidoreductase

UniProt ID

HMP_ECOLI

EC Number

EC 1.14.12.17

Sequence

MLDAQTIATVKATIPLLVETGPKLTAHFYDRMFTHNPELKEIFNMSNQRNGDQREALFNA
IAAYASNIENLPALLPAVEKIAQKHTSFQIKPEQYNIVGEHLLATLDEMFSPGQEVLDAW
GKAYGVLANVFINREAEIYNENASKAGGWEGTRDFRIVAKTPRSALITSFELEPVDGGAV
AEYRPGQYLGVWLKPEGFPHQEIRQYSLTRKPDGKGYRIAVKREEGGQVSNWLHNHANVG
DVVKLVAPAGDFFMAVADDTPVTLISAGVGQTPMLAMLDTLAKAGHTAQVNWFHAAENGD
VHAFADEVKELGQSLPRFTAHTWYRQPSEADRAKGQFDSEGLMDLSKLEGAFSDPTMQFY
LCGPVGFMQFTAKQLVDLGVKQENIHYECFGPHKVL

Click to Show/Hide

3D Structure

Click to Show 3D Structure of This Target

PDB

Drug Binding Sites of Target

Top

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

[3]

PDB Sequence

MLDAQTIATV

¹⁰

KATIPLLVET

²⁰

GPKLTAHFYD

³⁰

RMFTHNPELK

⁴⁰

EIFNMSNQRN

⁵⁰

GDQREALFNA

⁶⁰

IAAYASNIEN

⁷⁰

LPALLPAVEK

⁸⁰

IAQKHTSFQI

⁹⁰

KPEQYNIVGE

¹⁰⁰

HLLATLDEMF

¹¹⁰

SPGQEVLDAW

¹²⁰

GKAYGVLANV

¹³⁰

FINREAEIYN

¹⁴⁰

ENASKAGGWE

¹⁵⁰

GTRDFRIVAK

¹⁶⁰

TPRSALITSF

¹⁷⁰

ELEPVDGGAV

¹⁸⁰

AEYRPGQYLG

¹⁹⁰

VWLKPEGFPH

²⁰⁰

QEIRQYSLTR

²¹⁰

KPDGKGYRIA

²²⁰

VKREEGGQVS

²³⁰

NWLHNHANVG

²⁴⁰

DVVKLVAPAG

²⁵⁰

DFFMAVADDT

²⁶⁰

PVTLISAGVG

²⁷⁰

QTPMLAMLDT

²⁸⁰

LAKAGHTAQV

²⁹⁰

NWFHAAENGD

³⁰⁰

VHAFADEVKE

³¹⁰

LGQSLPRFTA

³²⁰

HTWYRQPSEA

³³⁰

DRAKGQFDSE

³⁴⁰

GLMDLSKLEG

³⁵⁰

AFSDPTMQFY

³⁶⁰

LCGPVGFMQF

³⁷⁰

TAKQLVDLGV

³⁸⁰

KQENIHYECF

³⁹⁰

GPHKVL

Residue

Distance (Å)

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

Residue

Distance (Å)

GLU224

3.549

GLU225

2.875

GLY226

3.905

GLY227

2.864

GLN228

3.159

VAL229

2.231

SER230

2.802

ASN231

4.858

VAL269

3.519

THR272

2.787

GLU388

3.645

CYS389

3.766

PHE390

3.364

GLY391

4.220

Click to View More Binding Site Information of This Target with Different Ligands

Different Human System Profiles of Target	Top
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

Different Human System Profiles of Target

Top

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

There is no similarity protein (E value < 0.005) for this target

Drug Property Profile of Target

Top

(1) Molecular Weight (mw) based Drug Clustering

(2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering

(3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering

(4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering

(5) Rotatable Bond Count (rotbonds) based Drug Clustering

(6) Topological Polar Surface Area (polararea) based Drug Clustering

"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

REF 1

How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

REF 2

The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

REF 3

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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.

Prof. Feng ZHU

Prof. Yuzong CHEN