Receptor
PDB id Resolution Class Description Source Keywords
4X7Q 2.33 Å EC: 2.7.11.1 PIM2 KINASE IN COMPLEX WITH COMPOUND 1S HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF LOW-NANOMOLAR PIM KINASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 25 474 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3YR A:401;
B:401;
Valid;
Valid;
none;
none;
ic50 = 14 nM
402.418 C19 H16 F2 N4 O2 S c1cc(...
PO4 A:402;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X7Q 2.33 Å EC: 2.7.11.1 PIM2 KINASE IN COMPLEX WITH COMPOUND 1S HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF LOW-NANOMOLAR PIM KINASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 25 474 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4X7Q ic50 = 14 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4X7Q ic50 = 14 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
4 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
5 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
6 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
7 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
8 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
9 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
11 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
12 5IPJ ic50 = 0.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
13 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
14 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
15 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
16 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
17 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
18 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
19 2XIX - XIX C2 H5 N5 c1([nH]nc(....
20 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
21 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
24 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
25 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
26 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
27 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
28 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
29 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
30 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
31 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
32 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
33 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
34 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
35 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
36 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
37 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
38 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
39 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
40 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
41 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
42 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
43 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
44 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
45 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
46 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
47 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
48 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
49 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
50 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
51 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
52 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
54 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
55 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
56 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
57 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
58 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
59 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
60 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
61 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
62 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
63 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
64 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
65 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
66 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
67 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
68 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
69 4X7Q ic50 = 14 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3YR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3YR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X7Q; Ligand: 3YR; Similar sites found: 298
This union binding pocket(no: 1) in the query (biounit: 4x7q.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DXT 5H5 0.003964 0.41446 1.28205
2 3ORQ ADP 0.003841 0.417 1.60256
3 5COU ATP 0.003379 0.41026 1.60256
4 3PN1 IVH 0.001277 0.40064 1.60256
5 5MW8 ATP 0.00001944 0.52311 1.92308
6 3DNT ATP 0.00009077 0.49532 1.92308
7 2PUL ACP 0.00822 0.42407 1.92308
8 1TZD ADP 0.00008915 0.40752 1.92308
9 4FHD 0TT 0.01629 0.40342 1.92308
10 4FHD EEM 0.01629 0.40342 1.92308
11 3I0O ADP 0.000164 0.44674 2.24359
12 2V58 LZJ 0.006466 0.43399 2.24359
13 5DZT AMP 0.0005264 0.41111 2.24359
14 3V4S ATP 0.007599 0.40566 2.24359
15 4IRX INS 0.001723 0.40927 2.36486
16 2PYW ADP 0.000001746 0.56451 2.5641
17 4MV1 ADP 0.01433 0.40602 2.5641
18 3HAV ATP 0.0002727 0.41911 2.67559
19 5VZ0 ADP 0.0002378 0.46016 2.88462
20 4PU5 ANP 0.00007377 0.4591 2.88462
21 2IF8 ADP 0.00004619 0.45128 2.88462
22 2VQD AP2 0.001699 0.43265 2.88462
23 4ZS4 ATP 0.0005762 0.45123 2.9316
24 3KAL ADP 0.003806 0.43405 3.20513
25 1T36 ADP 0.008193 0.41201 3.20513
26 2CFM AMP 0.001981 0.40689 3.20513
27 3PDT ADP 0.001343 0.42483 3.27273
28 4UWH JXM 0.0003505 0.44757 3.32779
29 5NCY 8TK 0.0001133 0.50019 3.52564
30 5W2I ADP 0.0003218 0.47066 3.52564
31 5W2I I3P 0.0003218 0.47066 3.52564
32 5TT6 ATP 0.002009 0.43136 3.5533
33 1IOW PHY 0.003797 0.43534 3.59477
34 1IOW ADP 0.003797 0.43534 3.59477
35 2VPQ ANP 0.00123 0.44272 3.7694
36 4OCJ NDG 0.00003748 0.5334 3.84615
37 1I7L ATP 0.001002 0.44851 3.8835
38 4R78 AMP 0.000001519 0.52571 4.16667
39 4U98 ACP 0.0004656 0.4481 4.16667
40 1PK8 ATP 0.001262 0.44577 4.16667
41 5FI4 5XV 0.003991 0.42156 4.16667
42 1M0W ANP 0.001501 0.4208 4.16667
43 5C1P DAL DAL 0.007739 0.41019 4.24837
44 5C1P ADP 0.002622 0.40713 4.24837
45 3X01 AMP 0.0000881 0.42557 4.3257
46 5TDF ADP 0.003119 0.421 4.48718
47 5GZ9 ANP 0.00000002496 0.65214 4.59016
48 4GYI ADP 0.000001973 0.57905 4.80769
49 5I35 ANP 0.000004871 0.53158 4.80769
50 2BKK ADP 0.00002024 0.49047 4.92424
51 5G41 AP5 0.02042 0.41075 4.93274
52 3TM0 ANP 0.00006593 0.41242 4.94297
53 3TM0 B31 0.00007134 0.40683 4.94297
54 5IH1 GDP 0.01989 0.41455 4.96689
55 5IH1 6BQ 0.02393 0.41061 4.96689
56 1ZIN AP5 0.01208 0.41714 5.06912
57 3TII ANP 0.0006334 0.42634 5.12821
58 2QK4 ATP 0.0008672 0.41402 5.12821
59 1TQP ATP 0.000007102 0.54496 5.31915
60 3TDV GDP 0.000003339 0.54645 5.55556
61 5LXT ACP 0.001651 0.437 5.61798
62 4XYM A12 0.002703 0.42177 5.65217
63 3VOT ADP 0.0005659 0.43068 5.76923
64 2AQX ATP 0.002961 0.42387 5.88235
65 5IQD GNP 0.00001514 0.55042 5.90164
66 5IQD RIO 0.00001631 0.55042 5.90164
67 3KA2 2NC 0.00339 0.45296 5.91133
68 4ANW O92 0.00005058 0.51965 6.08974
69 1TT8 PHB 0.01264 0.40199 6.09756
70 3W0O ADP 0.00002475 0.53053 6.41026
71 3W0O HY0 0.00002475 0.53053 6.41026
72 5K2M ADP 0.001555 0.43996 6.59341
73 5IGI GMP 0.006592 0.42644 6.64452
74 5IGI ZIT 0.006956 0.42644 6.64452
75 4OCV ANP 0.00006801 0.49193 6.73077
76 3ETH ATP 0.002319 0.42859 6.73077
77 4KU7 PCG 0.004035 0.42433 6.73077
78 1EHI ADP 0.00336 0.41761 6.73077
79 4ZGP ADP 0.002146 0.41974 6.82594
80 5C4L 4XR 0.00004012 0.52263 7.05128
81 4DFU QUE 0.0004933 0.48506 7.05128
82 2IO8 ADP 0.0006354 0.4574 7.05128
83 5C4L SIS 0.001954 0.44481 7.05128
84 4O4F IHP 0.001733 0.4412 7.25806
85 4O4F ATP 0.001593 0.4412 7.25806
86 1GSA ADP 0.02724 0.40784 7.37179
87 3WVR AMP 0.0002981 0.45089 7.38255
88 2YW2 ATP 0.001825 0.41492 7.54717
89 1SIV PSI 0.009727 0.41506 8.08081
90 3DGY 2GP 0.02193 0.40308 8.24742
91 1T3Q MCN 0.02139 0.40228 8.33333
92 3UDZ ADP 0.00001146 0.52585 8.65385
93 1ZTH ADP 0.0000008713 0.53494 9.30233
94 1ZP9 ATP 0.000003115 0.5313 9.30233
95 3TY5 ATP 0.001671 0.40975 10.5769
96 2Q7D ANP 0.003509 0.4273 10.6936
97 4WW7 AMP 0.0000007969 0.58234 11.1111
98 4YHQ G10 0.01107 0.4136 11.1111
99 4C5N PXL 0.01637 0.40087 11.2319
100 4C5N ACP 0.01266 0.40051 11.2319
101 3VPB ADP 0.0001553 0.4868 11.3475
102 3VPC ADP 0.0004041 0.46228 11.3475
103 1IA9 ANP 0.0006309 0.44059 11.4286
104 4Q5H ANP 0.000004064 0.54273 11.4943
105 5KJZ PCG 0.005181 0.40209 12.6667
106 4CYI ATP 0.00001499 0.52332 12.8205
107 2I0D MUT 0.02033 0.42306 13.1313
108 5CKW ANP 0.000003132 0.51536 13.141
109 4AZW ATP 0.00005557 0.49821 13.4615
110 4AZT LY2 0.001284 0.41919 13.4615
111 5L1O 7PF 0.02458 0.40168 13.4615
112 3GNI ATP 0.00000111 0.57319 14.1026
113 1W2D ADP 0.0004676 0.43173 14.3396
114 1W2D 4IP 0.004028 0.42754 14.3396
115 3H9R TAK 0.000008146 0.48759 14.6789
116 3E8N ATP 0.003884 0.47346 14.956
117 3E8N VRA 0.003884 0.47346 14.956
118 5KO1 6UY 0.000002771 0.54204 15.9011
119 3KMW ATP 0.0003992 0.45062 16.9742
120 4O1P ANP 0.0000001656 0.6033 19.2308
121 4OAV ACP 0.00000005914 0.61242 19.8718
122 5USZ SKE 0.000004432 0.56078 20.7612
123 5C03 AGS 0.00007232 0.48825 20.8333
124 4WOV 3SM 0.00009114 0.46317 20.8333
125 3OCP CMP 0.001896 0.40256 21.5827
126 4U0I 0LI 0.000006362 0.5595 21.7949
127 4IX4 ADP 0.000000356 0.59499 22.4359
128 1CM8 ANP 0.0000002004 0.59021 22.4359
129 3ALN ANP 0.000001027 0.57469 22.4359
130 4YMJ 4EJ 0.000000158 0.51876 22.6974
131 3VHE 42Q 0.0000002508 0.62208 22.7564
132 3G5D 1N1 0.0000001121 0.67538 24.1259
133 5CEO 50D 0.00002772 0.50639 24.3333
134 3SLS ANP 0.0000005322 0.59012 24.3421
135 2CSN CKI 0.0004872 0.49859 24.5791
136 1V0O INR 0.000000000267 0.72902 24.6528
137 4KBA 1QM 0.000000332 0.612 25
138 4XH0 ADP 0.000006782 0.5842 25.3205
139 2F57 23D 0.00000429 0.52659 25.552
140 5MJA 7O3 0.000003737 0.52827 25.9016
141 4CRL C1I 0.00000005545 0.65879 25.9615
142 2Y6O 1N1 0.000007438 0.53929 27.1478
143 4P5Z Q7M 0.000001781 0.59575 27.2436
144 3LXK MI1 0.00000001701 0.67073 27.8846
145 5T8O 76Z 0.000000008571 0.62738 27.8846
146 1VJY 460 0.000000002855 0.71628 28.3828
147 5HX8 66P 0.00000001206 0.67487 28.4768
148 3LXN MI1 0.000000002015 0.69415 28.8462
149 4IDT T28 0.000000001005 0.68653 28.8462
150 5LXC 7AA 0.0000000007269 0.67849 28.8462
151 4QTB 38Z 0.00000001878 0.67131 28.8462
152 4BTK DTQ 0.00000009673 0.61347 29.1667
153 5AWM ANP 0.0000000816 0.57671 29.1667
154 5EKO N17 0.0001287 0.48648 29.1667
155 2QLU ADE 0.000002091 0.43557 29.1667
156 4UX9 ANP 0.000000006463 0.67182 29.4872
157 5BYZ 4WE 0.00000003374 0.6644 29.4872
158 4H3Q ANP 0.0000002595 0.60676 29.4872
159 3UIM ANP 0.0000004799 0.58316 29.4872
160 4H3P ANP 0.0000005544 0.58043 29.4872
161 4IZY 1J2 0.00001027 0.53057 29.4872
162 4BKJ STI 0.0001054 0.4944 29.4872
163 4GJ3 0XP 0.000000002844 0.71392 29.8013
164 4WHZ 3NL 0.0000008428 0.6247 29.8077
165 3PTG 932 0.00000006214 0.57026 29.8077
166 3TTI KBI 0.0000001536 0.51852 29.8077
167 4LOO SB4 0.0001914 0.46982 29.8077
168 3F7Z 34O 0.000000001781 0.68908 30.1282
169 3E7O 35F 0.0000003768 0.61814 30.1282
170 3ZRM ZRM 0.0000006593 0.57715 30.1282
171 1OUK 084 0.0001457 0.54986 30.1282
172 4AUA 4AU 0.0000001512 0.59678 30.2932
173 4AU8 Z3R 0.00000003703 0.5866 30.4054
174 5BVE 4VG 0.00000001616 0.72332 30.4487
175 2JLD AG1 0.00000000229 0.7231 30.4487
176 5LPZ ADP 0.00000007621 0.61798 30.4487
177 4NM5 ADP 0.0003516 0.49997 30.4487
178 3KRR DQX 0.00000003371 0.70992 30.7692
179 3O0G 3O0 0.0000000007478 0.69289 30.8219
180 1UNH IXM 0.000000002432 0.64336 30.8219
181 3GC8 B45 0.000001231 0.5325 31.0897
182 3GC0 AMP 0.000003515 0.52126 31.0897
183 5LPB ADP 0.0000002439 0.55673 32.0946
184 5HQ0 LZ9 0.000000001875 0.69553 32.4503
185 4E1Z 0MX 0.00000004053 0.64274 32.646
186 4CLI 5P8 0.0000001643 0.65297 32.6923
187 4YLL 4E3 0.0000001721 0.61471 32.6923
188 3SRV S19 0.0000000007132 0.69312 32.852
189 4NST ADP 0.0000001323 0.60754 33.0128
190 5MY8 RXZ 0.000001282 0.58074 33.0128
191 5HES 032 0.0000003153 0.60021 33.2248
192 4F4P 0SB 0.000000182 0.66878 33.3333
193 1U5R ATP 0.00008863 0.51715 33.3333
194 1BYG STU 0.00000001115 0.63011 33.4532
195 5X8I SQZ 0.0000000001186 0.74035 33.6538
196 2WU6 DKI 0.000000001419 0.70771 33.6538
197 4QMN DB8 0.0000003351 0.62632 34.1936
198 4CFU 2WC 0.00000000369 0.69553 34.3234
199 2XVD AS6 0.0000005317 0.60493 34.4371
200 4BCQ TJF 0.00000006038 0.57884 34.5515
201 4BCM T7Z 0.000004477 0.48663 34.5515
202 4L9I 8PR 0.000004725 0.53198 34.6154
203 5DBX ANP 0.00006947 0.46732 34.6154
204 4BCN T9N 0.000000001399 0.72619 34.6667
205 4FL3 ANP 0.00000009293 0.62376 34.9359
206 4Y85 499 0.0000006598 0.56865 34.9359
207 4Y93 746 0.00002318 0.52405 34.9359
208 5LMK 6ZK 0.000006091 0.5194 35.0168
209 2XMY CDK 0.000000126 0.68253 35.2349
210 5U6C 7YS 0.0000007169 0.58438 35.2381
211 2BPM 529 0.000000011 0.71584 35.2564
212 4E93 GUI 0.00000002688 0.67121 35.2564
213 5EFQ ADP 0.00000008037 0.61698 35.2564
214 4ASE AV9 0.000002417 0.57276 35.2564
215 4AG8 AXI 0.00000009198 0.46724 35.2564
216 3PLS ANP 0.000001026 0.56083 35.5705
217 5JFS 6K0 0.000001356 0.60456 35.7143
218 3NW7 LGV 0.000004759 0.58574 35.8306
219 4YZC STU 0.000000001856 0.73412 35.8974
220 4FF8 14S 0.001932 0.40847 35.8974
221 2GU8 796 0.0000000003918 0.79594 36.2179
222 5JGA 6KC 0.000000005626 0.70265 36.2179
223 4WNK 453 0.000000007848 0.69116 36.2179
224 5UKL SIX 0.000001466 0.58265 36.2179
225 3PVW QRX 0.00000003579 0.54368 36.2179
226 4AT3 LTI 0.000005143 0.56185 36.4548
227 3EKK GS2 0.0000002602 0.6333 36.4821
228 1RE8 BD2 0.0000000005325 0.77585 36.5385
229 3IDB ANP 0.0000000003619 0.73419 36.5385
230 2QCS ANP 0.000000001476 0.7162 36.5385
231 3FHI ANP 0.000000001756 0.71278 36.5385
232 1OPK P16 0.000001918 0.5835 36.5385
233 3C1X CKK 0.0002669 0.47028 36.5385
234 3BU5 ATP 0.000000009152 0.6581 36.6013
235 1K3A ACP 0.00000291 0.52544 36.7893
236 2OO8 RAJ 0.001478 0.43728 36.859
237 5EOB 5QQ 0.00004032 0.54891 37.1795
238 5VC5 96M 0.0000000854 0.63884 37.3702
239 3TXO 07U 0.00000000007876 0.71811 37.8205
240 4WB6 ATP 0.000000001627 0.71428 37.8205
241 4WB7 ATP 0.000000008582 0.7008 37.8205
242 5HCY 60D 0.0000001894 0.65001 38.141
243 5TA6 79D 0.000018 0.53307 38.141
244 3FC2 IBI 0.002153 0.47271 38.141
245 4EWH T77 0.000000006064 0.69112 38.1818
246 1ZY5 ANP 0.00001225 0.51352 38.2838
247 1XJD STU 0.00000000001377 0.78549 38.4615
248 2H8H H8H 0.0000001242 0.60874 38.4615
249 1Y57 MPZ 0.000003117 0.55858 38.4615
250 4I6H 1C8 0.0001434 0.47529 38.6364
251 5LI1 ANP 0.000000001011 0.7109 38.7821
252 5LI9 ACP 0.0000005014 0.56945 38.7821
253 4DC2 ADE 0.0000000146 0.53006 38.7821
254 5JKG 6LF 0.0000003316 0.63014 38.9068
255 5NKB 8ZT 0.000000899 0.4274 39.2157
256 2PVF ACP 0.000000001407 0.67975 39.4231
257 2X2M X2M 0.000000003668 0.68606 39.4904
258 4OTH DRN 0.0000000008657 0.71389 39.7436
259 1PHK ATP 0.000000003715 0.67888 39.7436
260 3RI1 3RH 0.00000002529 0.6603 39.7436
261 3GQI ACP 0.00000001214 0.65274 40.0641
262 1U59 STU 0.0000000003287 0.72105 40.0697
263 5UR1 YY9 0.000001615 0.60401 40.1929
264 3PP0 03Q 0.0000001928 0.52319 40.3846
265 3VRY B43 0.000005071 0.48392 40.3846
266 5N87 N66 0.00000002162 0.68202 40.7051
267 4K33 ACP 0.000000009801 0.6604 40.7051
268 2V7O DRN 0.000000001168 0.62759 40.7051
269 3HMO STU 0.00000005303 0.61445 40.7051
270 2WEL K88 0.000005522 0.4696 40.7051
271 2OFV 242 0.00000224 0.5877 40.7942
272 2VZ6 FEF 0.00000001185 0.68283 41.0256
273 5TO8 7FM 0.000002647 0.58923 41.1348
274 3SXS PP2 0.000002246 0.55969 41.4179
275 2ZV2 609 0.000000002409 0.72703 41.6107
276 3SXF BK5 0.00000128 0.59729 41.6667
277 3IGO ANP 0.000001113 0.53356 41.6667
278 5FBN 5WF 0.000002696 0.5822 41.6974
279 4BHN BH9 0.0000000009173 0.70923 41.9872
280 4RFM 3P6 0.00001351 0.56642 42.1053
281 4CSV STI 0.00002935 0.51512 42.1818
282 2VN9 GVD 0.00000004476 0.56688 42.1927
283 3HZT J60 0.00000009671 0.56994 42.3077
284 4TWP AXI 0.00000008575 0.6681 42.4354
285 4XLI 1N1 0.000001077 0.55908 42.9104
286 2B9I ADP 0.000000002219 0.68491 42.9487
287 2B9H ADP 0.000000002717 0.68484 42.9487
288 2B9J ADP 0.000000003717 0.66349 42.9487
289 3KRL KRL 0.00000146 0.57067 42.9487
290 2HK5 1BM 0.0000004152 0.59204 42.963
291 5H2U 1N1 0.00009518 0.48305 43.0712
292 2B9F ADP 0.00000001202 0.65294 43.2692
293 2A19 ANP 0.000000458 0.61787 43.3099
294 4D2S DYK 0.00000005883 0.58791 43.3099
295 5DA3 58V 0.0000009766 0.53461 43.3962
296 2WEI VGG 0.00002059 0.49796 44.9477
297 4FG8 ATP 0.0000001314 0.61409 45.1923
298 5UOX 8GY 0.0000000004063 0.72847 47.2325
Pocket No.: 2; Query (leader) PDB : 4X7Q; Ligand: 3YR; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 4x7q.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GQS ADP 0.007826 0.40483 0.843882
2 4K38 SAM 0.00644 0.41271 1.28205
3 4K39 SAM 0.007935 0.40659 1.28205
4 4K37 SAM 0.008399 0.40343 1.28205
5 5JM8 ATP 0.007931 0.41216 1.92308
6 3V4S ADP 0.0182 0.41114 2.24359
7 3ILR IXD 0.04178 0.40298 2.24359
8 3ILR SGN 0.04178 0.40298 2.24359
9 4PZ6 GMP 0.0002433 0.4246 2.88462
10 1QM5 GLC GLC GLC PO4 SGC GLC 0.01646 0.41219 3.20513
11 3K5I ADP 0.005808 0.41666 3.52564
12 1Q6O LG6 0.009743 0.4005 3.7037
13 4EN4 GT0 0.009073 0.42925 3.84615
14 4EN4 GT1 0.009073 0.42925 3.84615
15 4EN4 ATP 0.009073 0.42925 3.84615
16 4WAS NAP 0.01854 0.41284 3.84615
17 4WAS COO 0.02186 0.40928 3.84615
18 5G5G MCN 0.01493 0.41749 4.16667
19 4CC6 L5Y 0.002305 0.41218 4.16667
20 1S68 AMP 0.001345 0.41527 4.41767
21 2TPS TPS 0.009649 0.41449 4.80769
22 4G1V FAD 0.02068 0.40006 4.80769
23 2GAG FOA 0.04625 0.40071 5.05051
24 2GAG FAD 0.04625 0.40071 5.05051
25 5HV0 AKG 0.008739 0.40051 5.06912
26 2G50 PYR 0.01353 0.41048 5.44872
27 5FS0 5JC 0.01398 0.40308 5.6872
28 3OVR 5SP 0.0155 0.4002 5.70175
29 5U98 1KX 0.03138 0.40429 6.06061
30 5TT5 NAD 0.01418 0.40509 6.08974
31 5CSD ACD 0.0258 0.40764 6.28931
32 1SU2 ATP 0.005646 0.41336 10.0629
33 3TY5 ADP 0.001799 0.43147 10.5769
34 1F0X FAD 0.03421 0.40148 11.5385
35 4H8N NDP 0.01766 0.40956 15.1613
36 4NJH 2K8 0.007526 0.4264 18.6957
37 4NJH SAM 0.007526 0.4264 18.6957
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