Receptor
PDB id Resolution Class Description Source Keywords
5F3I 2.24 Å EC: 1.14.11.27 CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 54 HOMO SAPIENS EPIGENETICS DEMETHYLASE INHIBITOR OXIDOREDUCTASE
Ref.: 8-SUBSTITUTED PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE DERI AS POTENT, CELL PERMEABLE, KDM4 (JMJD2) AND KDM5 (J HISTONE LYSINE DEMETHYLASE INHIBITORS. J.MED.CHEM. V. 59 1388 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:401;
C:401;
B:401;
B:402;
D:401;
C:402;
D:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
CL C:404;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DMS A:404;
B:405;
D:404;
D:405;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
GOL B:404;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
5UJ A:403;
C:403;
B:403;
D:403;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.344;
none;
none;
Atoms found LESS than expected: % Diff = 0.219;
ic50 = 0.08 uM
469.366 C23 H22 Cl2 N6 O c1cnc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F3I 2.24 Å EC: 1.14.11.27 CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 54 HOMO SAPIENS EPIGENETICS DEMETHYLASE INHIBITOR OXIDOREDUCTASE
Ref.: 8-SUBSTITUTED PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE DERI AS POTENT, CELL PERMEABLE, KDM4 (JMJD2) AND KDM5 (J HISTONE LYSINE DEMETHYLASE INHIBITORS. J.MED.CHEM. V. 59 1388 2016
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
2 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
3 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
4 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
5 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
6 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
7 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
8 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
9 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
10 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
11 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
12 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
13 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
14 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
15 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
16 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
17 4URA ic50 = 5.01 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
18 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
19 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
20 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
21 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
22 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
23 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
24 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
25 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
26 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
2 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
3 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
4 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
5 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
6 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
7 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
8 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
9 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
10 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
11 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
12 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
13 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
14 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
15 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
16 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
17 4URA ic50 = 5.01 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
18 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
19 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
20 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
21 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
22 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
23 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
24 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
25 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
26 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
27 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
28 4XDO ic50 = 11 mM OGA C4 H5 N O5 C(C(=O)O)N....
29 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
30 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
31 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
32 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
33 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
34 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
35 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
36 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
37 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
50% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3OPT - AKG C5 H6 O5 C(CC(=O)O)....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
5 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
6 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
7 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
8 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
9 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
10 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
11 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
12 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
13 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
14 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
15 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
16 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
17 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
18 4URA ic50 = 5.01 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
19 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
20 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
21 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
22 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
23 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
24 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
25 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
26 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
27 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
28 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
29 4XDO ic50 = 11 mM OGA C4 H5 N O5 C(C(=O)O)N....
30 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
31 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
32 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
33 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
34 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
35 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
36 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
37 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
38 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5UJ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5UJ 1 1
2 5UO 0.793478 1
3 5UL 0.686869 1
4 5U8 0.485981 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F3I; Ligand: 5UJ; Similar sites found: 166
This union binding pocket(no: 1) in the query (biounit: 5f3i.bio2) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WG3 A2G GAL NAG FUC 0.01015 0.45646 None
2 1WW5 SGA BGC 0.0252 0.43453 None
3 3M3E GAL A2G NPO 0.02923 0.41827 None
4 5UQD AKG 0.00005461 0.5877 1.66667
5 3FW9 SLX 0.01512 0.42032 1.66667
6 5JDA AMP 0.04056 0.41388 1.67131
7 4WN5 MVC 0.01974 0.40644 1.73913
8 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.0008547 0.48053 1.76991
9 2JIG PD2 0.0009045 0.50891 1.78571
10 1ODM ASV 0.007009 0.42139 1.81269
11 5H9P TD2 0.008219 0.46124 1.89873
12 2G30 ALA ALA PHE 0.001397 0.48882 1.93798
13 3ZDS HQ9 0.003636 0.48289 1.94444
14 3ZDS HMQ 0.004798 0.46451 1.94444
15 3ZDS OMD 0.01082 0.44991 1.94444
16 3ZDS M8O 0.0127 0.44608 1.94444
17 4BXF AKG 0.001116 0.51084 2.22222
18 5KJW 53C 0.04056 0.42224 2.22222
19 3T4L ZEA 0.02819 0.41003 2.22222
20 4YRD 3IT 0.003128 0.47864 2.22841
21 2A1X AKG 0.01802 0.42545 2.27273
22 1GQG DCD 0.008902 0.4223 2.28571
23 3W21 AKG 0.009623 0.44718 2.5641
24 2ICK DMA 0.04526 0.40866 2.57511
25 1J3R 6PG 0.002418 0.48042 2.63158
26 3PUA OGA 0.0001945 0.55446 2.77778
27 3KV5 OGA 0.001167 0.5065 2.77778
28 3KV4 OGA 0.005399 0.47188 2.77778
29 1HFU NAG NDG 0.009495 0.42679 2.77778
30 5V1B 8UY 0.03999 0.42238 2.91667
31 1OIJ AKG 0.009008 0.44754 2.99003
32 3TY5 ATP 0.03625 0.41724 3.05556
33 5IQT AKG 0.001274 0.46823 3.1746
34 5IQT 6CU 0.01345 0.41144 3.1746
35 5EPA AKG 0.02092 0.43837 3.22581
36 5LUN OGA 0.01141 0.45323 3.40909
37 2AOT 2PM 0.02974 0.42567 3.42466
38 4P7X YCP 0.02683 0.4111 3.42466
39 4P7X AKG 0.02683 0.4111 3.42466
40 2J5B TYE 0.04854 0.41607 3.44828
41 2CH5 NAG 0.04202 0.41038 3.45821
42 2CH5 NDG 0.04592 0.40833 3.45821
43 2RDQ AKG 0.002161 0.4538 3.47222
44 5C5T AKG 0.001428 0.49807 3.50877
45 4FE2 AIR 0.005485 0.46139 3.52941
46 4FFG 0U8 0.01375 0.44866 3.61111
47 4FFG LBS 0.02994 0.41001 3.61111
48 4DSU BZI 0.003321 0.48752 3.7037
49 4IE6 UN9 0.006001 0.41652 3.88889
50 5A61 3PO 0.03251 0.41632 3.88889
51 4MPO AMP 0.02912 0.43519 3.92157
52 4J25 OGA 0.001316 0.50829 3.93013
53 3KYG 5GP 5GP 0.02552 0.40927 3.96476
54 2W5P CL8 0.04415 0.42044 4.02685
55 3H7J PPY 0.009443 0.44072 4.11523
56 5HV0 AKG 0.0003588 0.51343 4.14747
57 2OG7 SIN 0.02411 0.43279 4.20168
58 2CBO TH2 0.02766 0.42836 4.34783
59 4NPL AKG 0.007169 0.46607 4.4
60 4YVN EBS 0.04498 0.41851 4.44444
61 2IVD ACJ 0.04756 0.40751 4.44444
62 5JSP DQY 0.006735 0.46581 4.47761
63 4Y24 TD2 0.0484 0.41039 4.54545
64 5C3R HMU 0.001928 0.46749 4.66472
65 5C3R AKG 0.001928 0.46749 4.66472
66 1SR9 KIV 0.04412 0.42004 4.72222
67 3U6W KIV 0.04564 0.41912 4.72222
68 4ZXA H8N 0.004888 0.46883 4.7619
69 1VKF CIT 0.0332 0.4261 4.78723
70 4WVW SLT 0.04004 0.40467 4.86111
71 2ARC ARA 0.02415 0.43068 4.87805
72 1EPB REA 0.01519 0.42664 4.87805
73 3MPB FRU 0.02098 0.42287 4.87805
74 4CJN QNZ 0.02512 0.43732 4.98442
75 5FP3 3JI 0.00000004354 0.66429 5
76 3JQ3 ADP 0.009923 0.44759 5
77 4NFD SIA 0.0406 0.42768 5
78 3NMV PYV 0.04069 0.40493 5.05618
79 3FW3 ETS 0.02565 0.40916 5.26316
80 3PQB VGP 0.02245 0.40645 5.27778
81 3W9R A8S 0.01722 0.4309 5.29101
82 5FUI APY 0.00034 0.52881 5.30303
83 4IAW LIZ 0.02914 0.42238 5.31915
84 5TVA COA 0.02839 0.4129 5.41667
85 2FCU AKG 0.04857 0.41662 5.43131
86 5DYO FLU 0.04127 0.41961 5.50459
87 1OJJ GLC GAL 0.01894 0.43651 5.55556
88 4U98 ACP 0.03645 0.40738 5.55556
89 5J75 6GQ 0.01947 0.4212 5.68182
90 3QRC SCR 0.001763 0.47512 5.73248
91 5T7I LAT NAG GAL 0.01326 0.45126 5.80645
92 1GP6 SIN 0.006314 0.4234 5.89888
93 1GP6 DH2 0.006314 0.4234 5.89888
94 1GP6 QUE 0.007252 0.41809 5.89888
95 4RFR RHN 0.02103 0.41336 5.91133
96 3I7V ATP 0.0311 0.42775 5.97015
97 3I7V B4P 0.0142 0.42103 5.97015
98 2P7Q GG6 0.02988 0.42959 6.01504
99 3AVS OGA 0.00000003466 0.75025 6.11111
100 3AVR OGA 0.0000001001 0.74563 6.11111
101 4WOE ADP 0.002489 0.49142 6.11111
102 5NCF 8T5 0.03249 0.42752 6.19469
103 2QX0 PH2 0.04885 0.41852 6.28931
104 3H0L ADP 0.04718 0.411 6.38298
105 2OUA AES 0.03851 0.4104 6.38298
106 5J8O 6GZ 0.0378 0.40657 6.45161
107 1NME 159 0.004057 0.48855 6.52174
108 1OPB RET 0.01867 0.42212 6.71642
109 1DMY AZM 0.04571 0.41175 6.85484
110 3SAO NKN 0.03198 0.4202 6.875
111 4XCB AKG 0.003561 0.48163 6.89655
112 4QM9 CYS 0.007169 0.46318 6.93642
113 5FLJ QUE 0.008862 0.42531 6.98925
114 3NKS ACJ 0.02829 0.41298 7.12788
115 5L9V OGA 0.00368 0.47067 7.14286
116 5L9B AKG 0.008871 0.45021 7.14286
117 4BQY FNT 0.009055 0.42792 7.14286
118 4RT1 C2E 0.02701 0.41399 7.14286
119 4UYW H1S 0.0007329 0.51565 7.22222
120 3HQR OGA 0.01215 0.43887 7.31707
121 1QY1 PRZ 0.02884 0.40134 7.47126
122 5XLY C2E 0.01875 0.41883 7.5188
123 4OCT AKG 0.008168 0.45213 7.65766
124 2WZ5 MET 0.0002903 0.52131 7.84314
125 5I0U DCY 0.0003172 0.52755 8
126 5TFZ 7BC 0.001395 0.49862 8
127 4WCX MET 0.008694 0.44103 8.05556
128 5X7Q GLC GLC 0.03008 0.43183 8.33333
129 4JZR 4JR 0.02998 0.42548 8.33333
130 5X7Q GLC GLC GLC GLC GLC 0.04943 0.414 8.33333
131 1UYY BGC BGC 0.007367 0.46391 8.39695
132 2GQS C2R 0.01654 0.42821 8.43882
133 3ACL 3F1 0.01544 0.42628 8.44595
134 5LDQ NAP 0.004605 0.47969 8.47458
135 2GC0 PAN 0.003153 0.457 8.51064
136 4Y3O OGA 0.000331 0.54052 8.61111
137 3OYW TDG 0.03043 0.42914 8.95522
138 1O4T OXL 0.01859 0.43536 9.02256
139 2HRL SIA GAL SIA BGC NGA CEQ 0.02124 0.43377 9.44882
140 1OS7 TAU 0.009172 0.42765 9.54064
141 1OS7 AKG 0.009172 0.42765 9.54064
142 4XAC AKG 0.01698 0.4435 9.92064
143 4K3H 1OM 0.02211 0.40947 10.1695
144 5LJB RTL 0.02659 0.40564 11.1111
145 1GT4 UNA 0.0329 0.40964 11.3208
146 5F6U 5VK 0.02351 0.42905 11.465
147 4ZU4 4TG 0.01756 0.42346 11.4865
148 3EEB IHP 0.04837 0.40109 11.9617
149 2OVW CBI 0.0149 0.4467 12.2222
150 1QKQ MAN 0.004008 0.44161 12.6761
151 1LRH NLA 0.003764 0.47015 13.4969
152 1N5S ADL 0.02891 0.4125 15.1786
153 3QX9 ATP 0.04558 0.42052 15.2174
154 3TAY MN0 0.01278 0.40987 15.3374
155 3N0Y APC 0.009371 0.4185 15.6425
156 2QL9 CIT 0.005258 0.46965 16.185
157 1BHX ASP PHE GLU GLU ILE 0.03796 0.41615 16.6667
158 1XE7 GUN 0.02325 0.41613 17.734
159 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.03939 0.41188 18.5185
160 4RYV ZEA 0.01461 0.43858 25.8065
161 2XUM OGA 0.00006449 0.58056 30
162 4IGQ OGA 0.000000013 0.80809 41.3889
163 4IGQ THR M3L GLN 0.000000003543 0.73962 41.3889
164 5FWJ MMK 0.00000001181 0.7758 44.7222
165 5A3T MMK 0.0000000003923 0.70347 45.2778
166 5IVE 6E8 0.0000001432 0.59943 47.8788
Pocket No.: 2; Query (leader) PDB : 5F3I; Ligand: 5UJ; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 5f3i.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PIG BGC 0.005971 0.41411 1.94444
2 5XNA SHV 0.01529 0.40296 6.52174
3 4UF0 MMK 0.00001796 0.51189 6.66667
Pocket No.: 3; Query (leader) PDB : 5F3I; Ligand: 5UJ; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 5f3i.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RFY CBI 0.02228 0.40147 1.38889
2 1U0A BGC BGC BGC BGC 0.007114 0.41389 1.86916
3 4S1D 41M 0.03279 0.40078 3.18182
4 2AXR ABL 0.02826 0.40303 3.33333
5 1Y7P RIP 0.002083 0.46178 4.93274
6 3N29 NSD 0.0113 0.43835 5.27778
7 5SWI BMA 0.007258 0.40927 5.83333
8 1H8S AIC 0.02493 0.4029 5.95238
9 2VDF OCT 0.004231 0.4471 7.11462
10 5KEW 6SB 0.0179 0.41457 14.8936
Pocket No.: 4; Query (leader) PDB : 5F3I; Ligand: 5UJ; Similar sites found: 39
This union binding pocket(no: 4) in the query (biounit: 5f3i.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OFL NGK GCD 0.01371 0.42339 1.94444
2 1F8I SIN 0.04125 0.40081 1.94444
3 4EE7 PIS 0.01567 0.4225 2.30263
4 4D1J DGJ 0.03153 0.4088 2.5
5 1I7E IBS 0.0394 0.40184 2.64151
6 3A16 PXO 0.02048 0.4098 2.77778
7 2YN4 39J 0.03306 0.40632 3.38983
8 3UW5 MAA CHG PRO 0DQ 0.02535 0.41445 3.44828
9 5FPE 3TR 0.03875 0.40031 3.88889
10 4YLZ LAT NAG GAL 0.006498 0.44561 3.92157
11 5HZX 2GE 0.02355 0.40576 3.97727
12 4NAE 1GP 0.0303 0.40957 4
13 4KRI 1SH 0.04472 0.40066 4.44444
14 3CBC DBS 0.02338 0.41416 4.54545
15 3JU6 ANP 0.004581 0.45146 4.72222
16 5CPR 539 0.02221 0.41098 4.85075
17 3I9U DTU 0.02551 0.40665 4.94297
18 5FYR INS 0.008929 0.44149 5.36913
19 1GUI BGC BGC BGC BGC BGC BGC 0.04259 0.40006 5.80645
20 2X1E X1E 0.02524 0.40861 6.16247
21 1EX7 5GP 0.0304 0.40791 6.45161
22 3O94 NCA 0.04045 0.40047 6.63507
23 4NS0 PIO 0.01976 0.41109 6.76692
24 5L2R MLA 0.02088 0.40978 6.94444
25 3CM2 X23 0.04488 0.40067 7.69231
26 3TW1 AHN 0.02308 0.41772 8.01688
27 3HCH RSM 0.007638 0.439 8.21918
28 4KYS VIB 0.01573 0.42314 8.33333
29 3K7S R52 0.02712 0.40266 9.49721
30 4HN1 TYD 0.02837 0.40166 10.4478
31 5E9H MLI 0.02979 0.40933 10.5556
32 4IMO PWZ 0.01233 0.4324 10.7955
33 2XG5 EC5 0.02067 0.41169 10.9827
34 2XG5 EC2 0.02067 0.41169 10.9827
35 2J73 GLC GLC GLC 0.03292 0.41148 11.6505
36 2J73 GLC GLC GLC GLC 0.04369 0.40368 11.6505
37 4JLS 3ZE 0.03286 0.40703 12.5
38 2ZQO NGA 0.03059 0.4097 14.6154
39 3IWD M2T 0.03361 0.40558 20.9677
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