Study : jhp_0575 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NFE_L_7(1H2R) / Model_15(1H2R/L) = [3.1] Download186.7820.71MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF
Complex: NFC_L_7(1WUI) / Model_20(1WUI/L) = [3.1] Download166.3325.31MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF
Complex: FNE_L_7(1UBL) / Model_9(1UBL/L) = [3.3] Download34.30-7.67MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF
Complex: FNE_L_7(1UBK) / Model_8(1UBK/L) = [3.3] Download30.49-6.57MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF
Complex: NFC_L_7(1WUH) / Model_19(1WUH/L) = [3.3] Download156.1825.31MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF
Consensus
[pKd Mean = 3.22]
-114
(s=68)
11
(s=15)
MSKKIVVDPITRIEGHLRIEVIVDDDNVITDAFSSSTLFRGLETIIKGRDPRDAGFIAQRICGVCTYSHYKAGVTAVENALGITPPLNAQLVRSLMNMALLFHDHVVHFYTLHGLDWCDILSTLKADPIQAAKLSFKYSPYPINTGAGELKAVQKRLNDFAKSGSLGPFSNGYYGHKTYRLNPEQNLIVLSHYLKLLEIQREAAKMTAIFGAKQPHPQSLTVGGVTSVMDILDPTRLAEWKSKFEVVANFINHAYYPDLVMAGEMFANEPSVIKGCGLRNFIAYEEVLLGKDKYLLSSGVVLDGDISKLHPIDESLIKEEVTHSWYQYEDTKEVQLHPYDGQTNPHYTGLKDGESVGIENKIIPAKVLDTKDKYSWIKSPRYDSKPMEVGPLSSVVVGLAAKNPYVTEVATKFLKDTKLPLEALFSTLGRTAARCIEAKTIADNGLLAFDALVENLKSDQSTCAPYHIDKNQEYKGRYIGQVPRGMLSHWVRIKNGVVENYQAVVPSTWNAGPRDSKNQRGAYEMSLIGTKIADLTQPLEIIRTIHSFDPCIACSVHVMDFKGQSLNEFKVEPNFAKF