| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ATP_J_5(4YMV) / Model_77(4YMV/J) = [4.7]
| Download | 1029.50 | 7.05 | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
| Complex: AGS_B_6(3C4J) / Model_61(3C4J/B) = [4.7]
| Download | 1301.72 | 9.76 | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
| Complex: ADP_A_5(2Q0H) / Model_64(2Q0H/A) = [5.4]
| Download | 902.56 | 6.47 | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
| Complex: ADP_B_6(2Q0H) / Model_63(2Q0H/B) = [5.7]
| Download | 783.13 | 6.56 | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
| Complex: ADP_B_6(2OLJ) / Model_73(2OLJ/B) = [5.8]
| Download | 1028.80 | 6.56 | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
Consensus
[pKd Mean = 5.26] | - | 1009
(s=172) | 7
(s=1) | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGETNFLEGQADADGVRLADGQRLAATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |