Study : bsu27410 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GLY_B_2(1YFT) / Model_4(1YFT/A) = [3.1] Download11726.6020.87MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL
Complex: SER_B_2(1YGB) / Model_5(1YGB/A) = [3.5] Download5534.1221.99MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL
Complex: ATP_A_9(1YFR) / Model_2(1YFR/A) = [4.1] Download1233.031.07MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL
Complex: ATP_B_10(1YFR) / Model_22(1YFR/B) = [5.3] Download1238.66-0.60MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL
Complex: G5A_A_3(3HY0) / Model_12(3HY0/A) = [5.7] Download649.902.56MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL
Consensus
[pKd Mean = 4.34]
-4076
(s=4207)
9
(s=10)
MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL