Receptor
PDB id Resolution Class Description Source Keywords
1Y52 1.7 Å NON-ENZYME: BINDING STRUCTURE OF INSECT CELL (BACULOVIRUS) EXPRESSED AVR4 (C122S COMPLEX GALLUS GALLUS AVIDIN AVR4 STREPTAVIDIN HIGH-AFFINITY HYPER THERMOSTABISUGAR BINDING PROTEIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF AN AVIDIN-RELA PROTEIN: INSIGHT INTO HIGH-AFFINITY BIOTIN BINDING PROTEIN STABILITY. ACTA CRYSTALLOGR.,SECT.D V. 61 528 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN X:801;
Y:802;
Valid;
Valid;
none;
none;
Kd = 0.00000145 M
244.311 C10 H16 N2 O3 S C1[C@...
NAG X:901;
X:905;
Y:902;
Y:906;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y52 1.7 Å NON-ENZYME: BINDING STRUCTURE OF INSECT CELL (BACULOVIRUS) EXPRESSED AVR4 (C122S COMPLEX GALLUS GALLUS AVIDIN AVR4 STREPTAVIDIN HIGH-AFFINITY HYPER THERMOSTABISUGAR BINDING PROTEIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF AN AVIDIN-RELA PROTEIN: INSIGHT INTO HIGH-AFFINITY BIOTIN BINDING PROTEIN STABILITY. ACTA CRYSTALLOGR.,SECT.D V. 61 528 2005
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 1Y52 Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
4 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
5 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
6 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 1Y52 Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
4 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
5 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
6 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
7 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
8 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
9 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
10 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
11 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
12 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
13 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
14 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
15 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
16 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
17 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
18 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
19 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
20 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
21 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
23 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (139)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2G5L - FME ASP VAL GLU ALA TRP LEU n/a n/a
2 3WZO - ZOE C16 H27 N3 O5 S C1[C@H]2[C....
3 2RTM - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4Y59 Kd = 5.8 uM T21 C14 H8 F3 N O2 c1cc(cc(c1....
5 1NQM - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 1VWQ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
7 1NC9 - IMI C10 H17 N3 O2 S C1[C@H]2[C....
8 2RTI - GLL C4 H6 N4 O2 C12C(NC(=O....
9 5B5G Kd = 5.6 uM 6FX C14 H10 N2 O4 COC(=O)c1c....
10 4Y5D Kd = 1.2 uM MT6 C15 H11 N O4 COC(=O)c1c....
11 1SRJ - NAB C17 H12 N2 O3 c1ccc2c(c1....
12 4CPF - LH3 C32 H34 N4 O6 S COC(=O)c1c....
13 1NDJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
14 2IZL Kd = 1 uM IMI C10 H17 N3 O2 S C1[C@H]2[C....
15 2RTJ - GLL C4 H6 N4 O2 C12C(NC(=O....
16 1SWR Kd = 0.12 uM BTN C10 H16 N2 O3 S C1[C@H]2[C....
17 1SWE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
18 1SRF - MTB C17 H18 N2 O3 CC(C)(C)c1....
19 1RXJ - BNI C16 H20 N4 O4 S c1cc(ccc1N....
20 1SWK Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
21 2RTR - IMI C10 H17 N3 O2 S C1[C@H]2[C....
22 4CPI - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
23 2RTD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 3WYQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
25 2RTK - GLL C4 H6 N4 O2 C12C(NC(=O....
26 1LCZ - BH7 C16 H27 N3 O4 S C1[C@H]2[C....
27 1SWN Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
28 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
29 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
30 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
31 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
32 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
33 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
34 1VWF Kd ~ 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
35 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
36 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
37 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
38 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
39 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
40 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
41 1STS Ki = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
42 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
43 1VWN Kd ~ 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
44 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
45 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
46 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
47 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
48 1SRG Ki = 5 uM MHB C14 H12 N2 O3 Cc1cc(ccc1....
49 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
50 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
51 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
52 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
53 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
54 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
55 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
56 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
57 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
58 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
59 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
60 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
61 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
62 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
63 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
64 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
66 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
67 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
68 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
69 1SRI Ki = 0.83 uM DMB C15 H14 N2 O3 Cc1cc(cc(c....
70 1KL5 Kd = 1 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
71 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
72 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
73 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
74 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
75 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
76 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
77 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
78 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
79 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
80 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
81 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
82 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
84 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 1STR Ki = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
86 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
87 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
88 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
89 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
90 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
91 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
92 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
93 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
94 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
95 4JNJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
96 3SZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
97 3T2W Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
98 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
99 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
100 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
101 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
102 1Y52 Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
103 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
104 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
105 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
106 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
107 3WZQ Kd = 0.00000145 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
108 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
109 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
110 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
111 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
112 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
113 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
114 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
115 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
116 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
117 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
118 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
119 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
120 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
121 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
122 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
123 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
124 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
125 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
126 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
127 2ZSC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
128 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
129 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
130 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
131 4GGZ Kd = 0.066 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
132 4BJ8 Kd = 3.745 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
133 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
134 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
135 4GDA - BTN C10 H16 N2 O3 S C1[C@H]2[C....
136 1SWG Kd = 43.9 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
137 4GD9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
138 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
139 4EKV Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTN 1 1
2 BTQ 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y52; Ligand: BTN; Similar sites found: 177
This union binding pocket(no: 1) in the query (biounit: 1y52.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.0007609 0.54042 None
2 2QLX RM4 0.001545 0.48531 None
3 2HZQ STR 0.004334 0.47078 None
4 1H8G CHT 0.03306 0.44445 None
5 1UO4 PIH 0.02774 0.44111 None
6 1TUV VK3 0.02089 0.44088 None
7 2O66 FLC 0.006994 0.44067 None
8 1RZM E4P 0.01394 0.43742 None
9 1SN0 T44 0.009046 0.43717 None
10 2B7N NTM 0.009888 0.4336 None
11 1JH7 UVC 0.01365 0.42701 None
12 3BY8 MLT 0.02281 0.42663 None
13 3TFC PEP 0.01158 0.42546 None
14 3F81 STT 0.04687 0.42166 None
15 1N9L FMN 0.003145 0.41983 None
16 2DWU DGL 0.0127 0.4191 None
17 1F5F DHT 0.006424 0.41165 None
18 2QCX PF1 0.0292 0.41141 None
19 1EB9 HBA 0.01568 0.40705 None
20 1XE7 GUN 0.001516 0.50248 1.5873
21 1OGD RIP 0.009728 0.42891 1.5873
22 4MOB ADP 0.03302 0.42047 1.5873
23 1Y9Q MED 0.003439 0.46125 2.38095
24 1Q11 TYE 0.003234 0.45065 2.38095
25 3R51 MMA 0.02227 0.43937 2.38095
26 4NS0 PIO 0.03146 0.42056 2.38095
27 2R5T ANP 0.00236 0.41725 2.38095
28 3CEV ARG 0.01447 0.41659 2.38095
29 1XX4 BAM 0.02965 0.40889 2.38095
30 1DXY COI 0.003134 0.48548 3.1746
31 1XX6 ADP 0.005458 0.43061 3.1746
32 1V7R CIT 0.02479 0.4268 3.1746
33 3P3N AKG 0.02483 0.42598 3.1746
34 2VAR AMP 0.007107 0.42569 3.1746
35 1H2M OGA 0.02727 0.42328 3.1746
36 1H2K OGA 0.0292 0.42149 3.1746
37 2XUM OGA 0.02948 0.42138 3.1746
38 3SIX GDP 0.009377 0.4164 3.1746
39 2WA4 069 0.04155 0.40304 3.1746
40 4JP3 CIT 0.02191 0.40096 3.1746
41 2Z77 HE7 0.01537 0.40068 3.1746
42 2VAR KDF 0.02301 0.40006 3.1746
43 1RYI GOA 0.001587 0.5295 3.96825
44 1O9U ADZ 0.008373 0.46242 3.96825
45 2EB5 OXL 0.004214 0.45698 3.96825
46 2F2U M77 0.002029 0.44902 3.96825
47 4IAW LIZ 0.01042 0.43811 3.96825
48 2Q8H TF4 0.02616 0.43556 3.96825
49 9LDT OXM 0.04567 0.42873 3.96825
50 2BES RES 0.005777 0.42517 3.96825
51 1PX8 XYP 0.01863 0.42065 3.96825
52 1YHM AHD 0.02288 0.41643 3.96825
53 1KYZ SAH 0.005312 0.41127 3.96825
54 1K6M AGS 0.005257 0.4048 3.96825
55 3A1I UNU 0.02581 0.40158 3.96825
56 4K30 NLG 0.04137 0.40009 3.96825
57 1N5S ADL 0.008017 0.43213 4.46429
58 4J25 OGA 0.002886 0.47946 4.7619
59 2Q1A 2KT 0.008658 0.44183 4.7619
60 3QV9 QV7 0.01178 0.43004 4.7619
61 2HFK E4H 0.01548 0.41971 4.7619
62 1EYE PMM 0.007967 0.41935 4.7619
63 2ZJ5 ADP 0.02008 0.41911 4.7619
64 1GPJ CIT 0.02669 0.41801 4.7619
65 4IHQ ADP 0.01394 0.4173 4.7619
66 2OVD DAO 0.04726 0.41128 4.7619
67 1KTC NGA 0.02409 0.41091 4.7619
68 4IGQ OGA 0.02653 0.40962 4.7619
69 3E81 SLB 0.03902 0.40542 4.7619
70 1Q6O LG6 0.01523 0.40045 4.7619
71 3E5P PPI 0.0002892 0.57855 5.55556
72 2BZ1 TAU 0.001675 0.52093 5.55556
73 4M51 BEZ 0.001638 0.49195 5.55556
74 4EE7 PIS 0.004415 0.47578 5.55556
75 4RJK PYR 0.01416 0.46632 5.55556
76 4WBD CIT 0.007262 0.45835 5.55556
77 4GJY OGA 0.007009 0.45803 5.55556
78 2JFV FLC 0.007182 0.44576 5.55556
79 4WBD ADP 0.01101 0.44257 5.55556
80 2O2C G6Q 0.003289 0.4268 5.55556
81 1NC2 DOE 0.03241 0.42108 5.55556
82 1NC4 DOF 0.03376 0.41909 5.55556
83 1T10 F6P 0.02345 0.41592 5.55556
84 1F1V DHY 0.0172 0.41326 5.55556
85 3H7J PPY 0.02301 0.41288 5.55556
86 4K6B GLU 0.04329 0.41283 5.55556
87 4C6F NCD 0.01838 0.40795 5.55556
88 4C6F DOR 0.01838 0.40795 5.55556
89 2NCD ADP 0.04594 0.40203 5.55556
90 3QRC SCR 0.00199 0.48512 6.34921
91 4F8L GAL 0.007542 0.48247 6.34921
92 3U1T MLI 0.006028 0.45571 6.34921
93 3I0O ADP 0.0127 0.41487 6.34921
94 1OPB RET 0.014 0.41376 6.34921
95 3KV5 OGA 0.03683 0.40677 6.34921
96 1CKM GTP 0.02659 0.40484 6.34921
97 2C2A ADP 0.01122 0.40231 6.34921
98 4K55 H6P 0.02966 0.42352 6.45161
99 3GJB AKG 0.000867 0.4705 7.14286
100 3ZPG 5GP 0.01657 0.44635 7.14286
101 1QO0 BMD 0.01218 0.43463 7.14286
102 2PR5 FMN 0.002108 0.42635 7.14286
103 4JHG ZEA 0.00425 0.4224 7.14286
104 3M94 M7M 0.04757 0.41051 7.14286
105 2C5S AMP 0.02332 0.40739 7.14286
106 4OB6 S2T 0.01215 0.40435 7.14286
107 3S9K CIT 0.03485 0.45586 7.62712
108 1Y75 NAG 0.02991 0.40257 7.62712
109 4PTZ FMN 0.01077 0.40299 7.8534
110 4NAO AKG 0.0002704 0.52317 7.93651
111 1H16 DTL 0.03011 0.43222 7.93651
112 1H16 PYR 0.0319 0.42475 7.93651
113 2VDJ HSE 0.03376 0.42346 7.93651
114 3UEC ALA ARG TPO LYS 0.03358 0.41811 7.93651
115 1SJW NGV 0.01065 0.40663 7.93651
116 2WCI GSH 0.0375 0.40625 7.93651
117 1SC3 MLI 0.03649 0.42168 7.95455
118 4U9W SER GLY ARG GLY LYS NH2 0.02571 0.41637 8.73016
119 3CQ5 PMP 0.02236 0.40819 8.73016
120 4JWX 1N4 0.03214 0.40515 8.73016
121 1YRX FMN 0.002944 0.43291 9.09091
122 1SS4 GSH 0.005413 0.49985 9.52381
123 2XDQ MGX 0.003802 0.48095 9.52381
124 1Y7P RIP 0.003047 0.47796 9.52381
125 2YIV YIV 0.007231 0.45845 9.52381
126 3GM5 CIT 0.007906 0.45339 9.52381
127 1I0Z OXM 0.02805 0.4339 9.52381
128 1SS4 CIT 0.04823 0.43212 9.52381
129 1QZZ SAM 0.003745 0.42868 9.52381
130 3VCA PRO 0.01655 0.42068 9.52381
131 4H6B 10Y 0.02361 0.41942 9.52381
132 1Y42 TYR 0.01732 0.41747 9.52381
133 3QXG TLA 0.005261 0.40803 9.52381
134 2JBH 5GP 0.01283 0.4189 10.3175
135 3GTD MLI 0.0237 0.41571 10.3175
136 3MD0 GDP 0.01868 0.41167 10.3175
137 4BG1 IVL 0.004877 0.40596 10.3175
138 4BG1 OGA 0.004877 0.40596 10.3175
139 1TH8 ADP 0.02599 0.40145 10.3175
140 4CCO OGA 0.009998 0.42836 11.1111
141 1ZZ7 S0H 0.01076 0.4269 11.1111
142 1EYQ NAR 0.01088 0.42207 11.1111
143 3AYS CT3 0.01792 0.40843 11.1111
144 2BOS GLA GAL 0.009879 0.43598 11.7647
145 2BOS GLA GAL GLC 0.01168 0.43206 11.7647
146 1W3R PYR 0.01165 0.44766 11.9048
147 4M5P MLA 0.03873 0.43284 11.9048
148 1GJW GLC 0.04055 0.41394 11.9048
149 3JQ3 ADP 0.02209 0.4045 11.9048
150 3RF4 FUN 0.02233 0.41242 12.069
151 3SK2 GRI 0.02792 0.4247 12.6984
152 1SQ5 ADP 0.0191 0.40346 12.6984
153 4GO7 THR 0.002602 0.44439 13.4921
154 1C7S CBS 0.004239 0.43078 13.4921
155 4M1U A2G MBG 0.02376 0.42823 13.4921
156 4B9E FAH 0.02985 0.42071 13.4921
157 2Y7G AAE 0.01107 0.40596 13.4921
158 2PP3 LGT 0.01471 0.40453 13.4921
159 3I8P 840 0.002362 0.43248 14.2857
160 2GOO NDG 0.007744 0.43843 14.7059
161 4DYO SD4 0.00574 0.43434 15.0794
162 2NVK NAP 0.008151 0.4324 15.0794
163 3PMD 11A 0.01357 0.41363 15.0794
164 3RGA LSB 0.02171 0.41084 15.0794
165 3QP4 HL0 0.01072 0.40651 15.0794
166 4EXO PYR 0.006889 0.45954 15.873
167 2Q09 DI6 0.02395 0.40687 15.873
168 1NU4 MLA 0.004119 0.48792 16.4948
169 4FFG LBS 0.008498 0.43217 16.6667
170 1ZJ6 G3D 0.00632 0.42355 16.6667
171 4C2G ALA ALA ALA ALA 0.02222 0.40832 16.6667
172 1IND EOT 0.02627 0.42258 19.0476
173 1UF5 CDT 0.02428 0.40273 22.2222
174 3O2K DST 0.01419 0.42142 29.3651
175 1GU3 BGC BGC BGC BGC BGC 0.00985 0.42866 30.9524
176 3MTW M3R 0.002986 0.42846 34.9206
177 1WRA PC 0.02185 0.42757 37.3016
Pocket No.: 2; Query (leader) PDB : 1Y52; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1y52.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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