Study : Wbm0223 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: GLP_X_2(2VF5) / Model_5(2VF5/X) = [3.3] Download577.3620.77MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE
Complex: G6Q_A_3(2J6H) / Model_3(2J6H/A) = [3.6] Download618.9820.67MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_61(2ZJ3/A) = [4.0] Download611.7126.96MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_11(2ZJ3/A) = [4.0] Download645.8426.96MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE
Complex: G6Q_B_4(2J6H) / Model_25(2J6H/B) = [4.4] Download521.7818.10MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE
Consensus
[pKd Mean = 3.86]		-595
(s=42)		22
(s=3)		MCGIFGAVSDGDSVIPTLLAGLRKLEYRGYDSSGIAIINNEGKIEVQKSEGKVERLCEVVGNSRMSSSTVGIAHTRWATHGIPDLKNAHPIRTNNVVVAHNGVIENYNLLKKGLEERGIPFHTDTDTEVIPNMLTLYLNEGLSPIDSLFKCLSNLHGSFALVLLFAEYPDVLFVAKRSLPLAIGYNYNTVFAASDSNTLNTLVERISYLEDNDVAVIKSSGVSIYNNGAQVKRSIENNSSSSFLISKNGYSSFMLKEIFEQPCVLNKTINQFYKKYTEVISTSKKLFSKLSYITIVGCGSSYFAGLIAKYWLESVAQVRVYLEISSEFRYSNIRLEEGSIGLFISQSGETADTMEALRYAKSQKQTTISITNTFNSGIEKISDVVLHTLAGPEIGVASTKTFSTQLAILACFTLELAKIKDTIDEKRTKQLSNAINSIPEYVEYVLNVIKIQHIPDIILEHNSIILIGRGSSYGVAMEGALKIKELSYINTIGIAAGEMKHGSIALIDSSVLVIAIIPYDNLFFKTLSNIQEVIARKGKVIAFSDKQGVPFLREICKEVIQLPDIDNFISPIIYSVAMQFLAHSVAIEKGLDADCPRNLAKSVTVE