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Receptor
PDB id Resolution Class Description Source Keywords
5M56 2.24 Å EC: 2.7.11.1 MONOCLINIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CAT SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6F LAVONOL (FLC21) HOMO SAPIENS PROTEIN KINASE CK2 CASEIN KINASE 2 TRANSFERASE
Ref.: STRUCTURAL HYPERVARIABILITY OF THE TWO HUMAN PROTEI CK2 CATALYTIC SUBUNIT PARALOGS REVEALED BY COMPLEX STRUCTURES WITH A FLAVONOL- AND A THIENO[2,3-D]PYRIMIDINE-BASED INHIBITOR. PHARMACEUTICALS V. 10 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
B:405;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
7FC B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
351.138 C16 H8 Cl2 O5 c1cc(...
GOL B:403;
B:402;
A:402;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YF9 1.89 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF CK2A2 FORM-2 HOMO SAPIENS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF HUMAN CK2 ALPHA 2 IN NEW CRYS ARISING FROM A SUBTLE DIFFERENCE IN SALT CONCENTRAT ACTA CRYSTALLOGR F STRUCT V. 74 288 2018 BIOL COMMUN
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
2 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
3 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
4 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
5 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
6 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (136)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
7 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
8 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
9 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
11 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
12 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
13 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
14 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
15 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
16 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
18 5MOH - YTX C9 H10 O4 COc1cc(ccc....
19 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
20 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
21 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
22 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
23 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
24 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
25 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
26 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
27 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
28 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
29 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
30 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
31 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
32 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
33 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
34 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
35 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
36 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
37 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
38 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
39 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
40 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
41 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
42 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
43 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
44 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
45 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
46 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
47 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
48 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
49 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
50 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
51 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
52 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
53 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
54 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
55 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
56 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
57 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
58 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
60 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
61 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
62 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
63 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
65 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
66 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
67 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
68 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
69 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
70 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
71 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
73 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
74 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
75 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
76 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
77 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
78 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
79 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
80 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
81 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
82 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
83 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
84 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
85 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
86 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
87 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
88 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
89 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
90 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
91 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
92 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
93 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
94 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
95 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
96 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
97 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
98 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
99 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
100 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
101 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
102 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
103 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
104 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
105 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
106 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
107 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
108 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
109 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
110 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
111 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
112 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
113 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
114 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
115 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
116 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
117 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
118 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
119 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
120 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
121 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
122 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
123 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
124 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
125 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
126 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
127 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
128 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
129 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
130 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
131 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
132 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
133 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
134 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
135 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
136 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
50% Homology Family (81)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
32 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
33 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
34 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
36 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
37 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
38 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
39 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
40 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
41 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
43 5MOH - YTX C9 H10 O4 COc1cc(ccc....
44 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
45 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
46 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
47 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
48 5OS1 ic50 = 1105 uM A7H C10 H11 N O S CCOc1ccc2c....
49 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
50 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
51 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
52 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
53 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
54 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
55 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
56 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
57 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
58 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
60 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
61 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
62 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
63 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
64 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
65 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
66 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
68 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
70 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
71 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
72 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
73 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
74 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
76 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
77 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
78 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
79 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
81 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7FC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7FC 1 1
2 3G5 0.542857 0.944444
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YF9; Ligand: NIO; Similar sites found with APoc: 381
This union binding pocket(no: 1) in the query (biounit: 5yf9.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 3V4S ATP 1.17994
3 3V4S ADP 1.17994
4 3K5I ADP 1.47493
5 3K5I AIR 1.47493
6 3PN1 IVH 1.57233
7 5YBL AKG 1.59236
8 4OUJ LBT 1.62866
9 3ZS7 ATP 1.66667
10 2ZL7 FUC GAL NGA 1.69492
11 2QK4 ATP 1.76991
12 1Z2P ACP 1.85185
13 1Z2P I3S 1.85185
14 5C1P DAL DAL 1.96078
15 5C1P ADP 1.96078
16 1GZ4 ATP 1.99637
17 2YW2 ATP 2.0649
18 2Q7D ANP 2.0649
19 2QF7 AGS 2.0649
20 1ELI PYC 2.0649
21 2R7K ACP 2.0649
22 2R7K AMZ 2.0649
23 3BOF HCS 2.0649
24 1Q8A HCS 2.0649
25 1IA9 ANP 2.14286
26 4RDL FUC GAL NDG FUC 2.27273
27 1IOW PHY 2.28758
28 1IOW ADP 2.28758
29 2HKA C3S 2.30769
30 2VPQ ANP 2.35988
31 6C1S EFV 2.35988
32 2VQD AP2 2.35988
33 4PZ6 GMP 2.35988
34 4C2C ALA ALA ALA 2.35988
35 1VRP IOM 2.35988
36 5KO1 6UY 2.4735
37 1OS7 AKG 2.4735
38 2ET1 GLV 2.48756
39 4C5N PXL 2.53623
40 4C5N ACP 2.53623
41 1Y0G 8PP 2.6178
42 5T63 ALA ALA ALA ALA 2.65487
43 4A91 GLU 2.68456
44 5TDF ADP 2.77778
45 1J6W MET 2.85714
46 4ZS4 ATP 2.9316
47 4AVV CD 2.94118
48 4U98 ACP 2.94985
49 5OES ADP 2.94985
50 2BMB PMM 2.94985
51 5IM3 DTP 2.94985
52 5TT6 ATP 2.94985
53 1VHZ APR 2.94985
54 4NJH SAM 3.04348
55 4NJH 2K8 3.04348
56 2UYN 2KT 3.10078
57 2WBV SIA 3.1746
58 1VKF CIT 3.19149
59 4O4F IHP 3.22581
60 4O4F ATP 3.22581
61 4GYI ADP 3.24484
62 5AE9 OKO 3.24484
63 2YRX AMP 3.24484
64 6EZ6 C5Z 3.24484
65 5ZCT ANP 3.26797
66 3PDT ADP 3.27273
67 4ZGP ADP 3.41297
68 1UY4 XYP XYP XYP XYP 3.44828
69 1GSA ADP 3.48101
70 4CYI ATP 3.53982
71 1PK8 ATP 3.53982
72 4OCJ NDG 3.53982
73 3AVR OGA 3.53982
74 6EOM ALA LYS 3.53982
75 3VPC ADP 3.5461
76 1I7L ATP 3.55987
77 3GD8 GOL 3.58744
78 4GLW 0XT 3.60656
79 4LH7 1X8 3.71517
80 1W2D ADP 3.77358
81 1W2D 4IP 3.77358
82 4OCV ANP 3.83481
83 1AUX AGS 3.85852
84 5VZ0 ADP 4.12979
85 3ORQ ADP 4.24403
86 2RIF AMP 4.25532
87 5GZ9 ANP 4.2623
88 5K2M ADP 4.3956
89 2QX0 PH2 4.40252
90 2PUL ACP 4.42478
91 2V58 LZJ 4.42478
92 1T36 ADP 4.42478
93 1M0W ANP 4.42478
94 4YZ5 SLT 4.42478
95 3HAV ATP 4.42478
96 3ILR IXD 4.59459
97 3ILR SGN 4.59459
98 6BOX SAH 4.62046
99 2GQS ADP 4.64135
100 3I0O ADP 4.71976
101 3TDV GDP 4.71976
102 4G9N NGA 4.8951
103 5I35 ANP 5.01475
104 2IO8 ADP 5.01475
105 2CFM AMP 5.01475
106 1NBU PH2 5.04202
107 1NX4 AKG 5.12821
108 3LOO B4P 5.20548
109 3SJK LYS PRO VAL LEU ARG THR ALA 5.26316
110 1RYD GLC 5.30973
111 4PU5 ANP 5.30973
112 6BU0 IHP 5.34351
113 3O5N BR0 5.35714
114 4NZN ANP 5.45455
115 4NZN 2OU 5.45455
116 4NFE BEN 5.48523
117 1OBD ATP 5.55556
118 2IF8 ADP 5.60472
119 3WVR AMP 5.60472
120 3B6R CRN 5.60472
121 1U3U NAD 5.60472
122 1U3U BNF 5.60472
123 4XYM A12 5.65217
124 4XZ3 ACP 5.65217
125 1UPR 4IP 5.69106
126 3X01 AMP 5.8997
127 2GQR ADP 5.90717
128 5EXK 5AD 6.0423
129 4O1P ANP 6.19469
130 3TII ANP 6.19469
131 5LXB 7A9 6.19835
132 4DFU QUE 6.21118
133 5C4L 4XR 6.23053
134 5MW8 ATP 6.48968
135 3ETH ATP 6.48968
136 1SGJ OAA 6.48968
137 5DZT AMP 6.48968
138 3TY5 ATP 6.48968
139 3IS2 FAD 6.49351
140 2DM6 IMN 6.60661
141 2DM6 NAP 6.60661
142 5IGI GMP 6.64452
143 5IGI ZIT 6.64452
144 3D72 FAD 6.71141
145 5NC1 NAG 6.75105
146 2PYW ADP 7.07965
147 3DNT ATP 7.07965
148 1RZX ACE VAL LYS GLU SER LEU VAL 7.14286
149 4OAV ACP 7.37463
150 5KBE IPH 7.42358
151 1OIJ AKG 7.97342
152 4R78 AMP 8.09062
153 3KAL ADP 8.25959
154 1TZD ADP 8.36364
155 3VPD ANP 8.55457
156 2Z49 AMG 8.55457
157 2Z48 A2G 8.55457
158 1EHI ADP 8.55457
159 3TM0 ANP 8.74525
160 3TM0 B31 8.74525
161 1CBK ROI 8.75
162 4LO2 GAL BGC 8.84354
163 5VLQ ANP 8.84956
164 5IXG OTP 8.87574
165 4MN3 ACE PHE ALA TYR M3L SER NH2 8.92857
166 1CKM GTP 9.09091
167 5FI4 5XV 9.14454
168 5DXT 5H5 9.14454
169 6CGD AKN 9.18033
170 6CGD GNP 9.18033
171 1P6O HPY 9.31677
172 1ZX5 LFR 9.33333
173 3DLG GWE 9.43953
174 6E8I PTR 9.46746
175 2BKK ADP 9.4697
176 3W0O HY0 9.73451
177 3W0O ADP 9.73451
178 4X3R 686 9.73451
179 5LXT ACP 9.79021
180 4D4U FUC NDG GAL FUC 9.84127
181 1TQP ATP 9.92908
182 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 10.1167
183 4UWH JXM 10.3245
184 3BP1 GUN 10.3448
185 6GR0 F8W 10.3448
186 1BCJ NGA 10.3896
187 2GOO NDG 10.5263
188 5YK1 ANP 10.6195
189 3WO0 ADP 10.6195
190 3WO0 ALA 10.6195
191 6MJ7 ARG 10.9091
192 5C03 AGS 10.9145
193 1ZP9 ATP 11.2403
194 1ZTH ADP 11.2403
195 4WOV 3SM 11.6719
196 4Q5H ANP 11.8421
197 2HGS ADP 12.3894
198 5EQY 5RA 13.2743
199 2BVE PH5 13.4454
200 3UDZ ADP 13.5693
201 6FL8 ADP 13.5693
202 6FL8 TIY 13.5693
203 5USZ SKE 13.8408
204 3SCH TB6 14.1414
205 4AZW ATP 14.4543
206 2AQX ATP 14.5329
207 3VHE 42Q 14.7493
208 3VOT ADP 14.7493
209 2OO8 RAJ 14.8265
210 4FL3 ANP 15.6342
211 3GNI ATP 15.9292
212 3VPB ADP 16.0714
213 4UXL 5P8 16.1491
214 5DBX ANP 16.5192
215 2X2M X2M 16.5605
216 3SXS PP2 18.2836
217 5VC5 96M 18.2891
218 3SRV S19 19.1336
219 4F4P 0SB 19.4139
220 4PNI KQQ 20.059
221 4L9I 8PR 20.059
222 5CKW ANP 20.354
223 4WW7 AMP 20.8556
224 5JKG 6LF 22.1865
225 4XH0 ADP 22.4189
226 1VJY 460 22.7139
227 4IX4 ADP 22.7139
228 2CSN CKI 22.8956
229 4CLI 5P8 23.0089
230 6ES0 BW8 23.3038
231 3KMW ATP 23.9852
232 1JPA ANP 24.1888
233 5T8O 76Z 24.4838
234 2Y6O 1N1 24.4838
235 4IDT T28 24.4838
236 4BTK DTQ 24.6291
237 4KBA 1QM 24.7788
238 5OKT 9XK 24.7788
239 5CEO 50D 25.3687
240 3H9R TAK 25.6637
241 2F57 23D 25.8675
242 5JGA 6KC 25.9587
243 5LPZ ADP 25.9587
244 5MJA 7O3 25.9587
245 5LPB ADP 25.9587
246 4P5Z Q7M 26.2537
247 4EWH T77 26.2537
248 5QIN J2V 26.2537
249 5U6C 7YS 26.2537
250 4RFM 3P6 26.5487
251 4E93 GUI 26.5487
252 1OPK P16 26.8437
253 3C1X CKK 26.8437
254 5NKB 8ZT 27.1386
255 3E8N VRA 27.1386
256 3E8N ATP 27.1386
257 5EOB 5QQ 27.1386
258 3KRL KRL 27.1386
259 4Y85 499 27.4336
260 1U59 STU 27.7286
261 1BYG STU 27.7286
262 3NW7 LGV 27.7286
263 3SLS ANP 27.7286
264 4Y93 746 27.7286
265 4E1Z 0MX 28.0236
266 6GQM F8H 28.0236
267 1K3A ACP 28.0236
268 6GIN IR2 28.2392
269 5WO4 B7V 28.3186
270 5JFS 6K0 28.3186
271 3PLS ANP 28.3186
272 5FBN 5WF 28.3186
273 5HCY 60D 28.6136
274 6C7Y ADP 28.6136
275 4QMN DB8 28.9086
276 3TXO 07U 28.9086
277 4BHN BH9 28.9086
278 4FF8 14S 28.9086
279 3BZ3 YAM 29.2035
280 2F2U M77 29.7935
281 4AT3 LTI 29.7935
282 3UIM ANP 29.7935
283 2QLU ADE 29.7935
284 3LXK MI1 30.0885
285 1U5R ATP 30.3835
286 4ASE AV9 30.6785
287 4AG8 AXI 30.6785
288 6GWR FEW 30.6785
289 2A19 ANP 30.6785
290 3LQV ADE 30.7692
291 5LI1 ANP 30.9735
292 5LI9 ACP 30.9735
293 4DC2 ADE 30.9735
294 4GJ3 0XP 31.2684
295 2QCS ANP 31.2684
296 3LXN MI1 31.2684
297 3EKK GS2 31.2704
298 3BU5 ATP 31.3725
299 1IR3 ANP 31.3725
300 2GU8 796 31.5634
301 1RE8 BD2 31.5634
302 3FHI ANP 31.5634
303 6C0T EE4 31.5634
304 3IDB ANP 31.5634
305 4YMJ 4EJ 31.5789
306 5WNL STU 31.8584
307 4K33 ACP 31.8584
308 6E2O S0L 32.1534
309 2HK5 1BM 32.2222
310 3VRY B43 32.4484
311 1Y57 MPZ 32.4484
312 4TWP AXI 32.4723
313 4U0I 0LI 32.6984
314 4WB7 ATP 32.7434
315 2H8H H8H 32.7434
316 5HES 032 32.899
317 3G5D 1N1 33.3333
318 4WB6 ATP 33.3333
319 5UR1 YY9 33.3333
320 2XVD AS6 33.6283
321 3RI1 3RH 33.6283
322 2PVF ACP 34.2183
323 3GQI ACP 34.2183
324 2OFV 242 34.657
325 4I6H 1C8 35.0649
326 4OTH DRN 35.1032
327 5TO8 7FM 35.1064
328 4CSV STI 35.2727
329 4YZC STU 35.6932
330 1ZY5 ANP 35.6932
331 6A1G 9OL 35.9882
332 3PP0 03Q 36.5782
333 5EH0 5NW 37.1681
334 5N87 N66 37.4631
335 3FC2 IBI 37.4631
336 5TA6 79D 37.4631
337 3HMO STU 37.7581
338 4WNK 453 38.6431
339 3PVW QRX 39.528
340 3ALN ANP 39.528
341 5UKL SIX 39.528
342 5H2U 1N1 40.4494
343 6CZ3 FLJ 40.9091
344 1XJD STU 41.5929
345 2WEL K88 42.4779
346 2WU6 DKI 43.6578
347 3E7O 35F 43.9528
348 5AWM ANP 43.9528
349 1O9U ADZ 44.2478
350 2JLD AG1 44.5428
351 3F7Z 34O 44.5428
352 3ZRM ZRM 44.5428
353 4NM5 ADP 44.5428
354 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 44.5428
355 5MY8 RXZ 44.8378
356 4WHZ 3NL 45.1327
357 3TTI KBI 45.1327
358 3PTG 932 45.1327
359 6FYV 3NG 45.4277
360 4CRL C1I 45.4277
361 6FYL 3NG 46.0177
362 4QTB 38Z 46.6077
363 5X8I SQZ 47.1976
364 4IZY 1J2 47.1976
365 4UX9 ANP 47.1976
366 6G33 5ID 47.1976
367 2B9H ADP 47.4926
368 2B9I ADP 47.4926
369 2B9J ADP 47.4926
370 2B9F ADP 47.4926
371 5ZTN CUR 48.0826
372 4H3Q ANP 48.0826
373 5EFQ ADP 48.0826
374 4NST ADP 48.0826
375 4H3P ANP 48.0826
376 5BVE 4VG 48.0826
377 1V0O INR 48.6726
378 3GC0 AMP 48.9362
379 2BPM 529 49.1909
380 1OUK 084 49.5575
381 4LOO SB4 49.5575
Pocket No.: 2; Query (leader) PDB : 5YF9; Ligand: NIO; Similar sites found with APoc: 129
This union binding pocket(no: 2) in the query (biounit: 5yf9.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2QZT PLM None
2 1GVE NAP 1.22324
3 5FS0 5JC 1.4218
4 5ZM4 AKG 1.63399
5 3CH6 NAP 1.74825
6 3CH6 311 1.74825
7 4P8K 38C 1.76991
8 4P8K FAD 1.76991
9 4MV1 ADP 1.76991
10 3NYQ MCA 1.76991
11 3RM4 3RM 1.76991
12 5KF6 FAD 1.76991
13 1LFW AEP 2.0649
14 3ZL8 ADP 2.0649
15 4HA6 PXM 2.0649
16 4D79 ATP 2.17391
17 3T4L ZEA 2.22222
18 5EJ2 NAD 2.27273
19 1PN0 FAD 2.35988
20 2YIV NBN 2.35988
21 4JKV 1KS 2.35988
22 5NUE NAD 2.40964
23 3STD MQ0 2.42424
24 3MPB FRU 2.43902
25 3SAO NKN 2.5
26 1ZOA 140 2.65487
27 5N5S NAP 2.65487
28 2I6A 5I5 2.65487
29 5UR6 8KM 2.76243
30 2YG2 FLC 2.90698
31 2YG2 S1P 2.90698
32 5C3R HMU 2.94985
33 5C3R AKG 2.94985
34 2ZYI STE 2.94985
35 4WOE 3S5 2.94985
36 1ZHX HC3 2.94985
37 1E3I CXF 2.94985
38 4PXL NAD 2.94985
39 1M3U KPL 3.0303
40 2B5W NAP 3.08123
41 1EKO NAP 3.1746
42 1EKO I84 3.1746
43 1V6A TRE 3.31325
44 4CQM NAP 3.68852
45 4R2M ANP 3.79747
46 5WPJ NDP 3.83481
47 4FFG LBS 3.83481
48 1GP6 SIN 3.93258
49 1GP6 DH2 3.93258
50 1GP6 QUE 3.93258
51 3LL5 ADP 4.01606
52 3LL5 IPE 4.01606
53 5NJI 8Z2 4.03727
54 2FB3 GTP 4.11765
55 6C4A PYR 4.12979
56 2Q4W FAD 4.12979
57 4NBT NAD 4.16667
58 1LSS NAD 4.28571
59 5GWT NAD 4.31655
60 2OVD DAO 4.3956
61 1BUC CAA 4.42478
62 2OBD 2OB 4.42478
63 4C0X AQN 4.4335
64 4WPF 3SN 4.54545
65 2GQS C2R 4.64135
66 2Q2V NAD 4.70588
67 1CX9 NHP 4.71976
68 2YFO GLA 4.71976
69 2YFO GAL 4.71976
70 4ZO3 C6L 4.7619
71 4EKQ NPO 4.81283
72 6GG9 FMN 4.93827
73 4MNS 2AX 5.03145
74 3VMG 9CA 5.21739
75 3WBF NAP 5.2459
76 3ZKK XYP XYP XYP XYP 5.30973
77 1YB5 NAP 5.30973
78 4WUJ FMN 5.44218
79 4OM8 NAD 5.50162
80 5OYH T99 5.60472
81 4FE2 AIR 5.60472
82 2ZSC BTN 5.67376
83 3T2W BTN 5.7377
84 3THR C2F 5.80205
85 1DQE BOM 5.83942
86 5XQW 8EU 6.16114
87 1WUB OTP 6.17978
88 5C4L SIS 6.23053
89 5C8W PCG 6.29371
90 5IXH OTP 6.48968
91 2WME NAP 6.48968
92 4WVO 3UZ 6.64653
93 5UNJ RJW 6.93878
94 2QE0 NAP 7.07965
95 4RKS MEV 7.12166
96 2X34 UQ8 7.18232
97 2X32 OTP 7.26257
98 2DTJ THR 7.30337
99 3AB4 THR 7.30337
100 3IX9 MTX 7.36842
101 1UAS GLA 7.37463
102 1OBB NAD 7.37463
103 2J4K U5P 7.52212
104 1BGQ RDC 8
105 3ZW2 NAG GAL FUC 8.04598
106 2ZPT A3P 8.55457
107 3GTD MLI 8.55457
108 4Z87 GDP 8.55457
109 6BA2 7KM 8.81356
110 1IGW PYR 8.84956
111 5DEP UD1 9.30233
112 2NPA MMB 10
113 5A5W GUO 10.3245
114 5D6J ATP 10.8108
115 2PYY GLU 11.8421
116 5ZGI SIN 12.3967
117 2F59 INI 12.7389
118 5BV6 35G 13.1579
119 4RFR RHN 13.3005
120 4DOO DAO 14.1463
121 4S15 4D8 14.1593
122 5ZCO PGV 14.2857
123 5Z84 PGV 14.2857
124 4XIZ LPP 14.2857
125 3VC1 SAH 14.7493
126 1N9L FMN 16.5138
127 5HGR 45D 17.6991
128 3SLS 77D 27.7286
129 5X8Q 82R 36.3636
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