Rv1256c

Tuberculist information
Gene namecyp130
Protein functionProbable cytochrome P450 130 Cyp130
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)1403.39
Molecular mass(da)44580.5
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 405
	  		  	1    MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAAR   60
			  	61   DHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTV  120
			  	121  RKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVD  180
			  	181  GATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTM  240
			  	241  VTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRD  300
			  	301  VTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAA  360
			  	361  RMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS

Known structures in the PDB
PDB ID2UUQ
Total residue count414
Number of chains1
MethodX-RAY
Resolution1.46
PDB ID2UVN
Total residue count828
Number of chains2
MethodX-RAY
Resolution3
PDB ID2WGY
Total residue count413
Number of chains1
MethodX-RAY
Resolution1.5
PDB ID2WH8
Total residue count1652
Number of chains4
MethodX-RAY
Resolution1.7
PDB ID2WHF
Total residue count413
Number of chains1
MethodX-RAY
Resolution1.58
1 41 81 121 161 201 241 281 321 361 401 Range: 276 to 384  |  Coverage: 26% p450 Range: 6 to 404  |  Coverage: 98% 1 Range: 3 to 402  |  Coverage: 98% 2 Range: 1 to 405  |  Coverage: 99% 1
Number of amino acids : 405
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
p450PF00067276-384
Mtb Structural Proteome models
Model Number1
Model nameRv1256c_2uuq_A
Template2UUQ    APDBCREDO
Template coverage6_404
Template Identity(%)100.0
Model coverage(%)98.3
Normalized DOPE score-2.093

Model Number2
Model nameRv1256c
Template2C7X    APDBCREDO
Template coverage11_404
Template Identity(%)30.7
Model coverage(%)98.5
Normalized DOPE score-0.759

Structure Models from Chopin
Model Number1
Profilea.104.1.1 - 1.10.630.10
Click for model details
zscore45.29
Residue begin1
Residue end405
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv1256cGene nameConfidence Score
Rv2276cyp1210.955
Rv3121cyp1410.949
Rv1880ccyp1400.946
Rv3545ccyp1250.946
Rv3518ccyp1420.939
Rv1394ccyp1320.937
Rv2266cyp1240.936
Rv2268ccyp1280.934
Rv1777cyp1440.924
Rv1785ccyp1430.921
Rv0778cyp1260.92
Rv0766ccyp1230.915
Rv2678chemE0.901
Potential ligand/drug binding sites
No binding sites identified
Similarity to known drug target from sensitive sequence analysis
No drug targets
List of small molecules tested from TIBLE
  View results in TIBLE page
NameAffinityAssay descriptionDOI
CHEMBL104Kd = 13.3 uMBinding affinity to Mycobacterium tuberculosis CYP130http://www.ncbi.nlm.nih.gov/pubmed/19075057
CHEMBL194859Not ActiveBinding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP130 expressed in Escherichia coli HMS174(DE3) by UV-visible spectral titration methodhttp://www.ncbi.nlm.nih.gov/pubmed/17846131
CHEMBL507264Kd = 0.26 mMBinding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP130 expressed in Escherichia coli HMS174(DE3) by UV-visible spectral titration methodhttp://www.ncbi.nlm.nih.gov/pubmed/17846131
CDD-234NoneNoneNone
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
Cell division protein kinase 2 1YKRPharmMapper5 hydroph + 2 HB + 0 pos/neg + 0 aromLink
Fatty acid-binding protein; brain 1FDQPharmMapper7 hydroph + 0 HB + 1 pos/neg + 0 aromLink
Fatty acid-binding protein; heart 2HMBPharmMapper5 hydroph + 1 HB + 1 pos/neg + 0 aromLink
Nuclear receptor subfamily 1 group I member 2 1SKXPharmMapper9 hydroph + 1 HB + 0 pos/neg + 0 aromLink
Phospholipase A2; membrane associated 1KQUPharmMapper5 hydroph + 2 HB + 1 pos/neg + 0 aromLink
allene oxide synthase; cytochrome P450 74A; hydroperoxide dehydrase [-] SEAE_value = 9.88e-40 & MaxTC = 0.7Link
Heme oxygenase 1 SEAE_value = 3.41e-35 & MaxTC = 0.49Link
Acyl coenzyme A:cholesterol acyltransferase 1 SEAE_value = 7.68e-22 & MaxTC = 0.44Link
Cytochrome P450 17A1 SEAE_value = 9.63e-19 & MaxTC = 0.47Link
sphingosine 1-phosphate receptor 4; endothelial differentiation G-protein coupled receptor 6 SEAE_value = 5.01e-16 & MaxTC = 0.33Link
interleukin-4; B-cell stimulatory factor 1 [-] SEAE_value = 7.53e-15 & MaxTC = 0.38Link
Histone deacetylase 2 SEAE_value = 1.25e-14 & MaxTC = 0.67Link
Histone deacetylase 3 SEAE_value = 2.96e-13 & MaxTC = 0.67Link
Neurokinin 3 receptor SEAE_value = 6.9e-13 & MaxTC = 0.33Link
Neuropeptide Y Antagonist SEAE_value = 2.38e-12 & MaxTC = 0.57Link
Histone deacetylase 9 SEAE_value = 4.63e-12 & MaxTC = 0.67Link
Histone deacetylase 5 SEAE_value = 4.83e-12 & MaxTC = 0.67Link
interleukin-5; T-cell replacing factor [-] SEAE_value = 5.45e-12 & MaxTC = 0.38Link
Small molecules involved in protein-protein complex from TIMBAL .Proteins similar to Mtb based on sequence analysis.
Data not available
STITCH interactions  
Chemical NameConfidence scoreMolecular Weight
econazolePubChem0.988381.684
ECNPubChem0.979381.684
II-4PubChem0.979223.273
II2PubChem0.979361.417
hydron sulfatePubChem0.907196.157
sulfatePubChem0.90796.0626
C16205PubChem0.9212.244
monoterpenesPubChem0.9136.234
1,2,4-benzenetriolPubChem0.9126.11
trans-pinocarveolPubChem0.9152.233
isopropanolPubChem0.960.095
myrtenolPubChem0.9152.233
hydron difluoridePubChem0.920.0063
fluoridePubChem0.920.0063
catecholPubChem0.9110.111