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Receptor
PDB id Resolution Class Description Source Keywords
3RDO 1.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF R7-2 STREPTAVIDIN COMPLEXED WITH BIOTIN STREPTOMYCES AVIDINII STREPTAVIDIN VARIANTS IMPROVED DESTHIOBIOTIN BINDING OPENEDESTABILIZATION BIOTIN BINDING PROTEIN
Ref.: EVOLVED STREPTAVIDIN MUTANTS REVEAL KEY ROLE OF LOO IN HIGH-AFFINITY BINDING. PROTEIN SCI. V. 20 1145 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:303;
A:304;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BTN A:300;
Valid;
none;
Kd = 0.14 nM
244.311 C10 H16 N2 O3 S C1[C@...
NI A:301;
Invalid;
none;
submit data
58.693 Ni [Ni+2...
SO4 A:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RDO 1.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF R7-2 STREPTAVIDIN COMPLEXED WITH BIOTIN STREPTOMYCES AVIDINII STREPTAVIDIN VARIANTS IMPROVED DESTHIOBIOTIN BINDING OPENEDESTABILIZATION BIOTIN BINDING PROTEIN
Ref.: EVOLVED STREPTAVIDIN MUTANTS REVEAL KEY ROLE OF LOO IN HIGH-AFFINITY BINDING. PROTEIN SCI. V. 20 1145 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
2 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (112)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 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 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
96 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
97 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
98 3WZQ Kd = 0.00000145 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
99 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
100 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
101 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
102 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
103 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
104 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
105 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
106 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
107 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
108 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
109 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
110 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
111 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
112 4EKV Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 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 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
20 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
21 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
23 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
25 1STS Ki = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
26 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
27 1VWN Kd ~ 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
28 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
30 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
31 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
32 1SRG Ki = 5 uM MHB C14 H12 N2 O3 Cc1cc(ccc1....
33 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
34 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
35 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
36 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
37 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
38 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
39 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
40 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
41 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
42 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
43 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
44 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
45 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
46 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
48 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
49 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
50 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
51 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
52 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
53 1SRI Ki = 0.83 uM DMB C15 H14 N2 O3 Cc1cc(cc(c....
54 1KL5 Kd = 1 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
55 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
56 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
57 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
59 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
60 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
61 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
62 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
63 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
66 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
67 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
68 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
69 1STR Ki = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
70 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
71 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
72 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
73 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
74 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
75 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
76 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
77 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
78 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
79 4JNJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
80 2JGS Kd = 10 fM BTN C10 H16 N2 O3 S C1[C@H]2[C....
81 3SZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 3T2W Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
84 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
86 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
87 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
88 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
89 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
90 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
91 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
92 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
93 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
94 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
95 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
96 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
97 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
98 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
99 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
100 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
101 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
102 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
103 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
104 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
105 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
106 2ZSC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
107 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
108 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
109 4GGZ Kd = 0.066 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
110 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
111 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
112 1SWG Kd = 43.9 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
113 4GD9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
114 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
115 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 BTQ 1 1
2 BTN 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 BNI 0.554054 0.656716
11 41M 0.554054 0.830189
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 : 3RDO; Ligand: BTN; Similar sites found with APoc: 122
This union binding pocket(no: 1) in the query (biounit: 3rdo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4NS0 PIO None
2 4R38 RBF None
3 1OGX EQU 0.763359
4 2ARC ARA 1.30719
5 5GWT SIN 1.30719
6 2F2G HMH 1.30719
7 4HIA FMN 1.30719
8 5SVV FMN 1.45985
9 2HZQ STR 1.96078
10 3QRC SCR 1.96078
11 3ACL 3F1 1.96078
12 2AMT GPP 1.96078
13 1KGI T4A 2.3622
14 3RGA LSB 2.4735
15 1OLM VTQ 2.61438
16 3FW4 CAQ 2.61438
17 1SNY NAP 2.61438
18 1QY1 PRZ 2.61438
19 3RI1 3RH 2.61438
20 4OMJ 2TX 2.61438
21 4P7X YCP 2.61438
22 4P7X AKG 2.61438
23 1O6U PLM 2.61438
24 2UYN 2KT 3.10078
25 1QD1 FON 3.26797
26 5JWP AKG 3.26797
27 4IY7 KOU 3.26797
28 3P3N AKG 3.26797
29 4XCB AKG 3.26797
30 4YRD 3IT 3.26797
31 3G08 FEE 3.26797
32 2PVN P63 3.26797
33 5IXG OTP 3.26797
34 5T2U NAP 3.26797
35 2XUM OGA 3.26797
36 3L6C MLI 3.26797
37 3D72 FAD 3.3557
38 2GJ5 VD3 3.7037
39 2GOO NDG 3.81679
40 2NZ2 ASP 3.92157
41 2ZXI FAD 3.92157
42 4RF2 NAP 3.92157
43 4M1U A2G MBG 4.28571
44 2BOS GLA GAL 4.41176
45 2BOS GLA GAL GLC 4.41176
46 2P7Q GG6 4.51128
47 5TFZ 7BC 4.57516
48 2IUW AKG 4.57516
49 4NBW NAD 4.57516
50 3RJ5 NAD 4.57516
51 4NBU NAI 4.57516
52 3GM5 CIT 4.57516
53 5WQP NAP 4.57516
54 5GP0 GPP 4.69799
55 4WUJ FMN 4.7619
56 6EOZ 58K 5.22876
57 6EOZ AKG 5.22876
58 4FFG LBS 5.22876
59 5VX9 FUC GAL NAG GAL BGC 5.22876
60 4XAC AKG 5.22876
61 3WIR BGC 5.22876
62 4IV9 TSR 5.22876
63 4RM0 FUC NDG GAL 5.22876
64 4RM0 FUC NAG GAL 5.22876
65 4M3P HCS 5.22876
66 3T50 FMN 5.46875
67 1QIN GIP 5.88235
68 1V7R CIT 5.88235
69 2JIG PD2 5.88235
70 5HA0 LTD 5.88235
71 5Y4K AKR 5.88235
72 4H6B 10Y 5.88235
73 1KW6 BPY 5.88235
74 4CCN OGA 5.88235
75 6MPT C30 5.88235
76 4F7E 0SH 6.36042
77 1N9L FMN 6.42202
78 2R5V HHH 6.53595
79 5N0L ILE 6.53595
80 5HWK BEZ 6.53595
81 2GUE NAG 6.55738
82 2HYQ MAN MAN 6.55738
83 2NU5 NAG 6.55738
84 2HKA C3S 6.92308
85 4MNS 2AX 7.18954
86 2ADD SUC 7.18954
87 3QUZ QUV 7.18954
88 3RUG DB6 7.18954
89 4J7U YTZ 7.84314
90 4J7U NAP 7.84314
91 1Z6Z NAP 7.84314
92 1IY8 NAD 7.84314
93 6GG9 FMN 7.84314
94 1U6R IOM 7.84314
95 5BU3 4W9 8.49673
96 2PYU IMP 8.49673
97 1W8S FBP 8.49673
98 4RLT FSE 8.49673
99 3KF3 FRU 9.15033
100 5EO8 TFU 9.80392
101 4J25 OGA 10.4575
102 5JSP DQY 10.4575
103 1MJJ HAL 10.4575
104 6FXR AKG 10.4575
105 2Z6D FMN 10.7692
106 5IXH OTP 11.1111
107 3L9R L9R 11.7647
108 5A96 GTP 13.0719
109 1H2M OGA 13.4615
110 5WKR NAR 14.3791
111 5ML3 DL3 14.7651
112 4GUT FAD 15.0327
113 2OVD DAO 15.0327
114 5HV0 AKG 15.6863
115 1VYF OLA 16.2963
116 3IS2 FAD 16.3399
117 2RDQ AKG 16.9935
118 3VPB ADP 17.8571
119 3N9O OGA 18.3007
120 3N9Q OGA 18.3007
121 3N9P OGA 18.3007
122 4B1M FRU FRU 22.2222
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