Receptor
PDB id Resolution Class Description Source Keywords
4K7O 1.98 Å NON-ENZYME: OTHER HUMAN PEROXIREDOXIN 5 WITH A FRAGMENT HOMO SAPIENS ENZYME CYTOSOL OXIDOREDUCTASE
Ref.: COMPARING BINDING MODES OF ANALOGOUS FRAGMENTS USIN FRAGMENT-BASED DRUG DESIGN: APPLICATION TO PRDX5 PLOS ONE V. 9 02300 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS C:201;
B:202;
A:202;
B:203;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
EKZ C:202;
B:201;
A:201;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 50 uM
166.217 C10 H14 O2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K7O 1.98 Å NON-ENZYME: OTHER HUMAN PEROXIREDOXIN 5 WITH A FRAGMENT HOMO SAPIENS ENZYME CYTOSOL OXIDOREDUCTASE
Ref.: COMPARING BINDING MODES OF ANALOGOUS FRAGMENTS USIN FRAGMENT-BASED DRUG DESIGN: APPLICATION TO PRDX5 PLOS ONE V. 9 02300 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1HD2 - BEZ C7 H6 O2 c1ccc(cc1)....
2 4K7N Kd = 330 uM MCT C7 H8 O2 Cc1ccc(c(c....
3 4K7I Kd = 1500 uM CAQ C6 H6 O2 c1ccc(c(c1....
4 1OC3 - BEZ C7 H6 O2 c1ccc(cc1)....
5 4MMM Kd = 150 uM BP7 C12 H10 O2 c1ccc(cc1)....
6 1H4O - BEZ C7 H6 O2 c1ccc(cc1)....
7 4K7O Kd = 50 uM EKZ C10 H14 O2 CC(C)(C)c1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1HD2 - BEZ C7 H6 O2 c1ccc(cc1)....
2 4K7N Kd = 330 uM MCT C7 H8 O2 Cc1ccc(c(c....
3 4K7I Kd = 1500 uM CAQ C6 H6 O2 c1ccc(c(c1....
4 1OC3 - BEZ C7 H6 O2 c1ccc(cc1)....
5 4MMM Kd = 150 uM BP7 C12 H10 O2 c1ccc(cc1)....
6 1H4O - BEZ C7 H6 O2 c1ccc(cc1)....
7 4K7O Kd = 50 uM EKZ C10 H14 O2 CC(C)(C)c1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1HD2 - BEZ C7 H6 O2 c1ccc(cc1)....
2 4K7N Kd = 330 uM MCT C7 H8 O2 Cc1ccc(c(c....
3 4K7I Kd = 1500 uM CAQ C6 H6 O2 c1ccc(c(c1....
4 1OC3 - BEZ C7 H6 O2 c1ccc(cc1)....
5 4MMM Kd = 150 uM BP7 C12 H10 O2 c1ccc(cc1)....
6 1H4O - BEZ C7 H6 O2 c1ccc(cc1)....
7 4K7O Kd = 50 uM EKZ C10 H14 O2 CC(C)(C)c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EKZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EKZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4k7o.bio5) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: 84
This union binding pocket(no: 2) in the query (biounit: 4k7o.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZUI SKM 0.03469 0.40587 1.78571
2 4P6X HCY 0.008676 0.43164 2.38095
3 1ZHX HC3 0.01588 0.42144 2.38095
4 2F59 INI 0.01075 0.41611 2.54777
5 3ZY6 GFB 0.01179 0.42515 2.97619
6 2QA8 GEN 0.01069 0.41423 2.97619
7 1SQA UI1 0.04403 0.41334 2.97619
8 4MG7 27H 0.01409 0.41307 2.97619
9 1WMA AB3 0.04735 0.41267 2.97619
10 3UUD EST 0.01019 0.41211 2.97619
11 1S7G NAD 0.04178 0.41146 2.97619
12 1N5D NDP 0.03547 0.4112 2.97619
13 2Y6P CTP 0.01706 0.40816 2.97619
14 5DQ8 FLF 0.02673 0.40674 2.97619
15 3K8D CTP 0.02064 0.40545 2.97619
16 4X1T UDP 0.02263 0.40539 2.97619
17 3Q9N COA 0.006528 0.43828 3.57143
18 2I0G I0G 0.03746 0.42467 3.57143
19 3OLL EST 0.01805 0.40483 3.57143
20 4OHB 5HM 0.0282 0.40282 3.57143
21 4JEM C5P 0.04163 0.40024 3.57143
22 2E2R 2OH 0.01766 0.42581 3.68852
23 1RVV INI 0.008566 0.41322 3.8961
24 5L4S NAP 0.006583 0.4549 4.16667
25 5L4S 6KX 0.006583 0.4549 4.16667
26 5KY3 GFB 0.003915 0.45409 4.16667
27 2B4G FMN 0.008576 0.43486 4.16667
28 4N65 AQN 0.01759 0.42486 4.16667
29 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.02931 0.42115 4.16667
30 4GA6 AMP 0.01216 0.41431 4.16667
31 2OQ2 A3P 0.01958 0.41369 4.16667
32 4N65 FMN 0.03471 0.4093 4.16667
33 3I5C C2E 0.007481 0.40907 4.16667
34 3NC9 TR3 0.01732 0.43724 4.7619
35 3CX8 GSP 0.02484 0.41542 4.7619
36 4N02 FNR 0.02006 0.41039 4.7619
37 1W78 ADP 0.02758 0.40046 4.7619
38 1T36 U 0.006764 0.4357 5.35714
39 1RE8 BD2 0.03085 0.43214 5.35714
40 1XUJ BOZ 0.04267 0.42957 5.35714
41 2IYA UDP 0.01266 0.42058 5.35714
42 1OIX GDP 0.02697 0.40836 5.35714
43 5GM9 CBK 0.03321 0.40692 5.35714
44 1U7Z PMT 0.04633 0.40564 5.35714
45 1TKB N1T 0.04255 0.4052 5.35714
46 5GVR LMR 0.02603 0.40074 5.35714
47 2D7C GTP 0.02532 0.40989 5.38922
48 16PK BIS 0.001631 0.50003 5.95238
49 3CQD ATP 0.01865 0.4306 5.95238
50 5TDF 7A3 0.008878 0.42088 5.95238
51 1JBW TMF 0.02433 0.41857 5.95238
52 2R5V HHH 0.01743 0.40694 5.95238
53 4F9C 0SX 0.0134 0.40678 5.95238
54 1Q0S SAH 0.03627 0.40416 5.95238
55 2C94 TSF 0.01781 0.43011 6.25
56 3OIX FMN 0.006756 0.43677 6.54762
57 1H9G COA MYR 0.02848 0.4032 6.58436
58 1KQN NAD 0.01716 0.42814 7.14286
59 1DSS NAD 0.01714 0.42208 7.14286
60 1J0D 5PA 0.02516 0.40982 7.14286
61 4IMG NGF 0.02414 0.40265 7.14286
62 3A1C ACP 0.02152 0.40873 8.33333
63 2VYN NAD 0.01854 0.42529 8.92857
64 3KDU NKS 0.04612 0.40747 8.92857
65 1GR0 NAD 0.04283 0.40542 8.92857
66 2HV8 GTP 0.029 0.40486 8.92857
67 4OKZ 3E9 0.03207 0.40388 8.92857
68 1DQS NAD 0.0249 0.42276 9.52381
69 4UTW RFW 0.007313 0.41874 10.119
70 1XKD NAP 0.02871 0.40928 11.3095
71 3RWO GDP 0.01676 0.4083 11.3095
72 3AWJ COA 0.0241 0.40316 11.9048
73 1ELU CSS 0.02561 0.40189 11.9048
74 3RDE OYP 0.02788 0.40398 13.0952
75 3MJY FMN 0.01199 0.43318 13.6905
76 3MJY IJZ 0.01199 0.43318 13.6905
77 1P31 EPU 0.01767 0.40588 13.6905
78 5UAV TFB 0.02737 0.41787 16.0714
79 5UAV NDP 0.02737 0.41787 16.0714
80 1F06 NDP 0.01273 0.44075 17.2619
81 1PKX XMP 0.008932 0.42403 17.8571
82 3ZOK NAD 0.03318 0.40629 19.0476
83 2V2G BEZ 0.00009315 0.50096 24.4048
84 3W6G FLC 0.00002898 0.54285 39.2857
Pocket No.: 3; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: 53
This union binding pocket(no: 3) in the query (biounit: 4k7o.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q0L V14 0.03525 0.40141 None
2 4Q9N 0WE 0.03691 0.40138 None
3 3R1V AZB 0.03727 0.40045 None
4 3D78 NBB 0.02155 0.40032 None
5 4J7U YTZ 0.0212 0.43 1.78571
6 4J7U NAP 0.0212 0.43 1.78571
7 1UVC STE 0.03664 0.41627 2.1978
8 3CB2 GDP 0.01832 0.40606 2.38095
9 3G5S FAD 0.009812 0.43141 2.97619
10 1G94 DAF GLC DAF GLC GLC 0.01272 0.42236 2.97619
11 3BL6 FMC 0.01286 0.41408 3.57143
12 5KZD RCJ 0.009385 0.41036 3.57143
13 4RDZ MYR 0.01631 0.40875 3.57143
14 3P2H NOO 0.01797 0.40551 3.57143
15 3R77 QLI 0.02185 0.40838 4.16667
16 3MTW M3R 0.02041 0.40499 4.16667
17 5KOR GDP 0.02741 0.40393 4.16667
18 3A76 SPD 0.01483 0.40373 4.16667
19 2I6U CP 0.0217 0.40356 4.16667
20 4SGA ACE PRO ALA PRO PHE 0.04225 0.40157 4.16667
21 4V24 GYR 0.03116 0.41319 4.7619
22 1FLR FLU 0.009642 0.40871 4.7619
23 5DJ5 GR2 0.02283 0.40023 4.7619
24 3IIJ ADP 0.01206 0.42349 5.35714
25 3NTY 5P3 0.03544 0.41718 5.35714
26 3TK1 GDP 0.01672 0.41307 5.35714
27 3I54 CMP 0.01007 0.40561 5.35714
28 5C1M 4VO 0.01503 0.4022 5.6
29 3E1T FAD 0.04239 0.41957 5.95238
30 3CIF NAD 0.04086 0.40399 5.95238
31 3SQG TP7 0.02938 0.40092 5.95238
32 4UCI GTP 0.02608 0.40068 5.95238
33 5IXJ THR 0.03381 0.40619 6.54762
34 1RYI FAD 0.02138 0.42398 7.14286
35 1FCZ 156 0.02624 0.40967 7.7381
36 2GKS ADP 0.02506 0.4044 7.7381
37 3ZOA ACR 0.01208 0.40199 8.92857
38 2Z7I 742 0.03636 0.42443 10.119
39 3POT TP7 0.03985 0.40987 10.7143
40 3POT COM 0.03981 0.40977 10.7143
41 3POT TXZ 0.03981 0.40977 10.7143
42 1H65 GDP 0.01867 0.40304 10.7143
43 5L2J 70E 0.00673 0.47284 11.2245
44 1FMB HYB 0.004901 0.42982 12.5
45 5KJZ PCG 0.01253 0.41183 12.5
46 5KBF CMP 0.03234 0.40005 12.5
47 1F2U ATP 0.04346 0.40318 12.7517
48 5FJN BE2 0.03834 0.41791 13.0952
49 3ZG6 APR 0.02256 0.41667 13.0952
50 9LDB NAD 0.01927 0.40702 14.881
51 1NUS NMN 0.03917 0.42152 17.2619
52 4WKB TDI 0.013 0.4176 17.8571
53 3KFC 61X 0.03909 0.40246 20.2381
Pocket No.: 4; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: 332
This union binding pocket(no: 4) in the query (biounit: 4k7o.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.002606 0.45763 None
2 1YS4 NAP 0.002283 0.45282 None
3 1TU3 GNP 0.004417 0.44425 None
4 4LTN NAI 0.01921 0.43541 None
5 4LTN FMN 0.01656 0.43541 None
6 1Y1A GSH 0.005397 0.43424 None
7 2F01 BTN 0.04458 0.4262 None
8 2BZ1 TAU 0.01221 0.41828 None
9 2GJ3 FAD 0.02137 0.41734 None
10 3N5O GSH 0.01241 0.41316 None
11 3PNA CMP 0.0003379 0.41282 None
12 2DTX BMA 0.0402 0.41239 None
13 3KJI ADP 0.01116 0.41141 None
14 1UO4 PIH 0.01137 0.41097 None
15 1R5A GTS 0.00951 0.40528 None
16 1XNK XS2 0.01583 0.40446 None
17 2D37 FMN 0.0006401 0.48577 1.19048
18 2D37 NAD 0.0006919 0.48577 1.19048
19 2F5T MAL 0.002867 0.44253 1.19048
20 1P9P SAH 0.006564 0.43132 1.19048
21 3I7S PYR 0.001965 0.41075 1.19048
22 1JGS SAL 0.007352 0.42957 1.44928
23 3IOI 1GW 0.002291 0.4664 1.78571
24 4BAS GNP 0.002612 0.44827 1.78571
25 4AIG FLX 0.001457 0.4441 1.78571
26 4C0X FMN 0.004879 0.44369 1.78571
27 4C0X AQN 0.006325 0.44369 1.78571
28 2XI7 XI7 0.004816 0.43897 1.78571
29 1TDF FAD 0.03286 0.42266 1.78571
30 3U4C NDP 0.02104 0.41584 1.78571
31 4EKV BTN 0.02123 0.42033 1.88679
32 4TMK T5A 0.02866 0.45294 2.38095
33 2J7T 274 0.005237 0.44503 2.38095
34 5YAS FAC 0.001837 0.43962 2.38095
35 1NN5 ANP 0.02721 0.41161 2.38095
36 1NN5 2DT 0.02721 0.41161 2.38095
37 3C1O NAP 0.02888 0.40392 2.38095
38 4BCS BTN 0.004646 0.42875 2.4
39 3GE7 AFQ 0.001869 0.472 2.97619
40 3PY5 AMP 0.002544 0.44066 2.97619
41 1O6B ADP 0.01639 0.43649 2.97619
42 3VKX T3 0.005021 0.43414 2.97619
43 1GSA GSH 0.0258 0.42392 2.97619
44 1NW5 SAM 0.008031 0.42375 2.97619
45 1GSA ADP 0.03587 0.42145 2.97619
46 4G1V FAD 0.0165 0.41968 2.97619
47 2VAR KDF 0.0001197 0.40924 2.97619
48 1TUF AZ1 0.02375 0.40799 2.97619
49 4O4K 2PK 0.02472 0.40603 2.97619
50 4M51 BEZ 0.007761 0.40348 2.97619
51 2VAR KDG 0.0001827 0.40171 2.97619
52 2PWY SAH 0.002825 0.45022 3.10078
53 1D09 PAL 0.03176 0.44933 3.26797
54 1OAA OAA 0.0005595 0.50954 3.57143
55 4KCF AKM 0.0004736 0.4867 3.57143
56 3F3E LEU 0.002141 0.47391 3.57143
57 3MBG FAD 0.001357 0.4686 3.57143
58 3S2Y FMN 0.001012 0.45886 3.57143
59 2J8Z NAP 0.003089 0.45607 3.57143
60 3MB5 SAM 0.01041 0.45062 3.57143
61 1L1Q 9DA 0.002492 0.44732 3.57143
62 2EFJ SAH 0.002735 0.44141 3.57143
63 2BO4 FLC 0.0007314 0.44026 3.57143
64 3U5S FAD 0.004761 0.43612 3.57143
65 2H6T IVA VAL VAL STA ALA STA 0.003846 0.43463 3.57143
66 1RY2 AMP 0.007079 0.4345 3.57143
67 4ARF IP8 GLY PRO ALA 0.003612 0.43373 3.57143
68 2EFJ 37T 0.002444 0.4284 3.57143
69 4C0C WVH 0.02724 0.42526 3.57143
70 2OI2 DP6 0.005285 0.42167 3.57143
71 2H6B 3C4 0.04701 0.41952 3.57143
72 3DDN HPV 0.003721 0.41733 3.57143
73 1TRD PGH 0.007402 0.4151 3.57143
74 4KCF FMN 0.01052 0.41258 3.57143
75 1T10 F6P 0.0008327 0.41189 3.57143
76 4GLL NAD 0.03236 0.41168 3.57143
77 1R18 SAH 0.02127 0.40729 3.57143
78 3GEG NAD 0.03304 0.40507 3.57143
79 2WKW W22 0.01541 0.40418 3.57143
80 4UOH ADP 0.00391 0.42234 3.97351
81 2BNE U5P 0.0005267 0.49953 4.16667
82 1E7S NAP 0.0006169 0.49412 4.16667
83 3AHC TPP 0.0005947 0.492 4.16667
84 2XVE FAD 0.003174 0.48467 4.16667
85 1B8U OAA 0.001371 0.47726 4.16667
86 2XK9 XK9 0.003186 0.46191 4.16667
87 1TO9 HMH 0.0004697 0.45248 4.16667
88 2HXT EHM 0.001578 0.44772 4.16667
89 1WHT BZS 0.0007352 0.44415 4.16667
90 2YC5 6BC 0.01051 0.43757 4.16667
91 2PT9 2MH 0.01072 0.43603 4.16667
92 2V7T SAH 0.04893 0.4333 4.16667
93 3OZG SSI 0.003905 0.43219 4.16667
94 4CMF PXG 0.03298 0.42482 4.16667
95 4NAO AKG 0.002367 0.41868 4.16667
96 2QCX PF1 0.0007048 0.4128 4.16667
97 1ZUW DGL 0.006678 0.41207 4.16667
98 1B8U NAD 0.01751 0.40968 4.16667
99 2PT9 S4M 0.02552 0.40788 4.16667
100 2QDT I38 0.0161 0.40413 4.16667
101 3GWT 066 0.04825 0.4005 4.16667
102 3QDT A2G GAL 0.005563 0.40988 4.1958
103 3DDC GNP 0.007077 0.43451 4.29448
104 1UWZ THU 0.002728 0.43928 4.41176
105 4AQL TXC 0.0000737 0.5132 4.7619
106 3P0K FAD 0.0004441 0.48609 4.7619
107 2BLE 5GP 0.003434 0.48147 4.7619
108 1R37 NAD 0.00144 0.47881 4.7619
109 3Q9T FAY 0.002415 0.47244 4.7619
110 1A8R GTP 0.0009279 0.46719 4.7619
111 2AMV BIN 0.006445 0.46128 4.7619
112 1R37 ETX 0.0004639 0.45271 4.7619
113 1P9B GDP 0.001696 0.45091 4.7619
114 3HY3 10F 0.003832 0.44398 4.7619
115 1P9B IMO 0.004471 0.44244 4.7619
116 3A2Q ACA ACA 0.002756 0.44126 4.7619
117 2HW1 ANP 0.004032 0.43949 4.7619
118 2HGZ PBF 0.00534 0.43879 4.7619
119 2Q97 ATP 0.00522 0.43599 4.7619
120 3PNL ADP 0.006042 0.43301 4.7619
121 3FED BIX 0.005511 0.42747 4.7619
122 3IL6 B83 0.00713 0.42615 4.7619
123 2WQP WQP 0.01279 0.42366 4.7619
124 2HW1 FRU 0.004454 0.41395 4.7619
125 1RRC ADP 0.01584 0.41334 4.7619
126 2JE7 XMM 0.02173 0.41259 4.7619
127 1V2X SAM 0.01428 0.41213 4.7619
128 1CL2 PPG 0.0165 0.4092 4.7619
129 1WGC SIA GAL BGC 0.01247 0.40903 4.7619
130 4G10 GSH 0.01552 0.40486 4.7619
131 1Y13 BIO 0.01286 0.40196 4.7619
132 1YAG ATP 0.003789 0.44421 4.8
133 2V5E SCR 0.002882 0.43994 4.9505
134 1SS4 CIT 0.0001432 0.55727 5.22876
135 1SS4 GSH 0.0234 0.407 5.22876
136 1QF5 GDP 0.0007572 0.5069 5.35714
137 1QF5 RPL 0.0007572 0.5069 5.35714
138 3ZLM ANP 0.0001493 0.5016 5.35714
139 1V1A KDG 0.0007378 0.47283 5.35714
140 1R27 MGD 0.003324 0.46334 5.35714
141 1WVG CXY 0.001728 0.45848 5.35714
142 1A69 FMB 0.01725 0.44625 5.35714
143 3E5P PPI 0.009627 0.44371 5.35714
144 1WVG APR 0.004714 0.44291 5.35714
145 4O1M NAD 0.01006 0.43264 5.35714
146 3UIE ANP 0.002732 0.43195 5.35714
147 2Z9V PXM 0.0001186 0.43128 5.35714
148 1JN2 SFP 0.02575 0.42522 5.35714
149 2AEB ABH 0.01848 0.42384 5.35714
150 1Q3Q ANP 0.04566 0.42147 5.35714
151 1KOL NAD 0.02657 0.41862 5.35714
152 4O8A 2OP 0.006925 0.41313 5.35714
153 8CAT NDP 0.01492 0.41293 5.35714
154 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01766 0.41111 5.35714
155 3ZRR PXG 0.01568 0.41023 5.35714
156 4JCA CIT 0.004549 0.43032 5.38922
157 4LFL TG6 0.00594 0.41693 5.55556
158 4LWA Q13 0.004159 0.46177 5.95238
159 2CSN CKI 0.002024 0.46036 5.95238
160 2C31 TZD 0.01391 0.45651 5.95238
161 2C31 ADP 0.01358 0.45651 5.95238
162 1LCP PLU 0.003978 0.44641 5.95238
163 4AF5 CIT 0.0002542 0.44568 5.95238
164 2B4Q NAP 0.005831 0.44412 5.95238
165 2PTZ PAH 0.002791 0.43883 5.95238
166 3B1F NAD 0.005143 0.43629 5.95238
167 1H16 PYR 0.001414 0.43616 5.95238
168 3RKR NAP 0.002828 0.43385 5.95238
169 1F8F NAD 0.02703 0.43212 5.95238
170 4GYW UDP 0.01236 0.43071 5.95238
171 2QIA U20 0.02985 0.42884 5.95238
172 3LZW NAP 0.03639 0.42731 5.95238
173 1XVV CCQ 0.02143 0.42617 5.95238
174 3LZW FAD 0.02165 0.42501 5.95238
175 2DKH FAD 0.01755 0.42439 5.95238
176 2DKH 3HB 0.02326 0.42439 5.95238
177 2YCJ C2F 0.005435 0.42345 5.95238
178 4TSK NDP 0.04404 0.4223 5.95238
179 4HZD COA 0.02691 0.41734 5.95238
180 1VBH PEP 0.00382 0.41683 5.95238
181 1JBW ACQ 0.02681 0.4139 5.95238
182 3F81 STT 0.00695 0.41305 5.95238
183 3BLI ACO 0.02154 0.40703 5.95238
184 2G36 TRP 0.007979 0.40296 5.95238
185 2W3L DRO 0.009075 0.40768 6.25
186 3ZS7 ATP 0.0002128 0.50104 6.54762
187 1NVU GTP 0.006558 0.46399 6.54762
188 2YBQ UP2 0.00415 0.45859 6.54762
189 3E4O SIN 0.0004781 0.45589 6.54762
190 2YBQ SAH 0.001678 0.45528 6.54762
191 3CBG SAH 0.001492 0.45345 6.54762
192 2GSD NAD 0.006177 0.44895 6.54762
193 3DAG FEG 0.004969 0.44182 6.54762
194 1OMZ UD2 0.02468 0.42661 6.54762
195 1JIL 485 0.007733 0.42451 6.54762
196 3RFV 15L 0.01447 0.42108 6.54762
197 2C7G ODP 0.04397 0.42105 6.54762
198 2C7G FAD 0.04523 0.42105 6.54762
199 1UZN NAP 0.007008 0.42062 6.54762
200 2YK7 CSF 0.01041 0.41852 6.54762
201 3RFV NAI 0.01867 0.41708 6.54762
202 3CBG FER 0.001046 0.41559 6.54762
203 3TO7 COA 0.04063 0.41125 6.54762
204 2Q37 3AL 0.001193 0.40834 6.54762
205 3K56 IS3 0.01505 0.40339 6.54762
206 4G28 0W8 0.00008389 0.4277 6.71141
207 3UR0 SVR 0.003822 0.46849 7.14286
208 1RYI GOA 0.002824 0.45619 7.14286
209 1C0I FAD 0.007384 0.45492 7.14286
210 1C0I BE2 0.007384 0.45492 7.14286
211 4IS0 GDS 0.001395 0.45479 7.14286
212 1VR0 3SL 0.0008598 0.45136 7.14286
213 4IS0 1R4 0.002837 0.4484 7.14286
214 2ZJ3 G6P 0.002944 0.44397 7.14286
215 1UJ5 5RP 0.002238 0.43841 7.14286
216 4NTD FAD 0.01315 0.43584 7.14286
217 4F2Q QUS 0.002998 0.43513 7.14286
218 1YOE RIB 0.002889 0.42814 7.14286
219 2ZWS PLM 0.008769 0.42565 7.14286
220 3WO0 ADP 0.03228 0.41439 7.14286
221 3WO0 ALA 0.03228 0.41439 7.14286
222 4LSJ LSJ 0.01844 0.40861 7.14286
223 3GM5 CIT 0.0009117 0.42319 7.54717
224 4BMO FMN 0.0026 0.45519 7.56302
225 1OTH PAO 0.0009041 0.48605 7.7381
226 4B16 NAG 0.0004966 0.47696 7.7381
227 1QB7 ADE 0.0004665 0.46609 7.7381
228 3D3W NAP 0.00731 0.44063 7.7381
229 4N4J HG1 0.02235 0.42572 7.7381
230 4PLG NAI 0.02402 0.42179 7.7381
231 4PLG OXM 0.02402 0.42179 7.7381
232 1QS0 TDP 0.01058 0.41818 7.7381
233 2NLI LAC 0.04654 0.41704 7.7381
234 2NLI FMN 0.04654 0.41704 7.7381
235 4USQ FAD 0.03082 0.41338 7.7381
236 1FP1 HCC 0.006417 0.4264 7.7957
237 1V35 NAI 0.002133 0.4783 8.33333
238 3ZTV ADN 0.0005224 0.46939 8.33333
239 1UBY DMA 0.0008372 0.46493 8.33333
240 4IVG ANP 0.007455 0.45804 8.33333
241 1LTH NAD 0.00838 0.457 8.33333
242 2I4O ATP 0.0008832 0.45377 8.33333
243 4ME6 ADP 0.001091 0.4404 8.33333
244 3UH0 TSB 0.00457 0.44038 8.33333
245 1SOW NAD 0.01029 0.43461 8.33333
246 1GVF PGH 0.003864 0.4197 8.33333
247 1LTH OXM 0.008553 0.40987 8.33333
248 3JDW ORN 0.01207 0.40985 8.33333
249 1KC7 PPR 0.004003 0.40902 8.33333
250 1R89 CTP 0.01426 0.40654 8.33333
251 3V1U NAD 0.001876 0.46192 8.92857
252 3MAG 3MA 0.001285 0.45696 8.92857
253 1X54 4AD 0.003749 0.44606 8.92857
254 1B74 DGN 0.00388 0.4168 8.92857
255 1NZY BCA 0.02055 0.41507 8.92857
256 3RK0 AMP 0.00005047 0.41455 8.92857
257 4RNX FMN 0.01395 0.41346 8.92857
258 2HGS GSH 0.01309 0.40615 8.92857
259 1GAD NAD 0.03023 0.40567 8.92857
260 1NU4 MLA 0.004782 0.43913 9.27835
261 2FWP CIT 0.02313 0.41623 9.28962
262 1KBJ FMN 0.0009707 0.47551 9.52381
263 1T8U UAP SGN IDS SGN 0.01215 0.43755 9.52381
264 1T8U A3P 0.007558 0.42498 9.52381
265 1OFH ADP 0.01214 0.42334 9.52381
266 4IOK XPO 0.0115 0.42146 9.52381
267 4IOK ADP 0.01421 0.42146 9.52381
268 3GYT DL4 0.03 0.40533 9.52381
269 2JFV FLC 0.00323 0.40379 9.52381
270 2D0V PQQ 0.0006624 0.47397 9.72222
271 1VDC FAD 0.03412 0.42258 10.119
272 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02817 0.42111 10.119
273 2V9M CIT 0.01414 0.40011 10.119
274 1UQX MMA 0.009022 0.428 10.6195
275 1DKU AP2 0.005416 0.44224 10.7143
276 2BGM NAJ 0.02643 0.43397 10.7143
277 1T0S BML 0.002618 0.42435 10.7143
278 1V2G OCA 0.01003 0.40915 10.7143
279 2BGM MAX 0.02651 0.4057 10.7143
280 1WUR 8DG 0.001427 0.46238 11.3095
281 4LNL PLG 0.002118 0.44195 11.3095
282 2VQ5 LDP 0.002016 0.43792 11.3095
283 1PL6 572 0.01086 0.43464 11.3095
284 2YVF NAD 0.0361 0.42934 11.3095
285 2YVF FAD 0.03516 0.42934 11.3095
286 1PL6 NAD 0.007611 0.42831 11.3095
287 1BGQ RDC 0.01295 0.4234 11.3095
288 2HVW DCP 0.01601 0.40218 11.3095
289 2HVW DDN 0.01762 0.40029 11.3095
290 4I71 AGV 0.001334 0.45784 11.9048
291 4LXH C1E 0.004267 0.43256 11.9048
292 2X61 CH 0.014 0.42922 11.9048
293 2X61 NGA GAL SIA 0.03254 0.42922 11.9048
294 2Q3M MLA 0.007767 0.41082 11.9048
295 1JAC AMG 0.005932 0.42472 12.0301
296 2D5X L35 0.001079 0.44059 12.0567
297 1M1B SPV 0.004499 0.41376 12.5
298 1FIQ SAL 0.002829 0.46195 13.0952
299 1FIQ MTE 0.002493 0.46195 13.0952
300 4DQ2 BTX 0.002537 0.46018 13.0952
301 1FIQ FAD 0.003726 0.45858 13.0952
302 1JA9 PYQ 0.002917 0.45727 13.0952
303 1JA9 NDP 0.01798 0.4489 13.0952
304 1IYE PGU 0.01468 0.42589 13.0952
305 3R35 4CO 0.005829 0.44541 13.245
306 3QV9 QV7 0.0003246 0.42911 13.6905
307 1PEA ACM 0.004465 0.41411 13.6905
308 2IZ1 ATR 0.001646 0.41213 13.6905
309 2PAR TMP 0.004169 0.46519 14.2857
310 2XDQ MGX 0.001346 0.44602 14.2857
311 4BI7 PGA 0.006296 0.4132 14.881
312 3SSO SAH 0.001375 0.46124 15.4762
313 2NW9 FT6 0.001148 0.43944 15.4762
314 3TXO 07U 0.003467 0.43228 15.4762
315 1OWB NAD 0.03724 0.4055 15.4762
316 4NES UDP 0.005773 0.42654 16.0714
317 4NES UD1 0.01045 0.41662 16.0714
318 4NPT 017 0.001873 0.43924 16.1616
319 1DLJ NAI 0.01553 0.44169 16.6667
320 1DLJ UGA 0.01553 0.44169 16.6667
321 3S9K CIT 0.002172 0.4593 16.9492
322 1ZFJ IMP 0.02459 0.4267 17.8571
323 1XX4 BAM 0.0002151 0.48279 20.2381
324 2QQF A1R 0.002003 0.46057 21.4286
325 1Z42 HBA 0.004184 0.44319 22.619
326 4GQB 0XU 0.01045 0.45206 23.2143
327 1PFK ADP 0.006154 0.4232 23.2143
328 4G4S LDZ 0.0175 0.41103 23.2143
329 1CKM GTP 0.0006649 0.40014 25
330 4RJK PYR 0.004863 0.43876 26.1905
331 1JUV NDP 0.001194 0.47285 31.5476
332 1C4U IH1 0.01706 0.40765 42.8571
Pocket No.: 5; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: 27
This union binding pocket(no: 5) in the query (biounit: 4k7o.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OGX EQU 0.01813 0.40698 None
2 3IBH GSH 0.02419 0.40592 1.19048
3 2V2V V12 0.04882 0.40871 1.78571
4 3QP8 HL0 0.01118 0.40205 1.78571
5 3SIX GDP 0.01966 0.40348 2.38095
6 2BJ4 OHT 0.01904 0.4071 2.97619
7 4MGB XDH 0.02163 0.40222 2.97619
8 1SNY NAP 0.0281 0.4106 3.57143
9 3BEO UDP 0.02644 0.40793 4.16667
10 1KUV CA5 0.03429 0.42169 5.35714
11 1CJW COT 0.03338 0.41802 5.35714
12 3FQ8 PMP 0.03101 0.40112 5.35714
13 2QTZ NAP 0.03523 0.41269 5.95238
14 3VCY UD1 0.0391 0.40494 7.7381
15 1F6D UDP 0.02634 0.4037 7.7381
16 2ZCQ B65 0.03586 0.40333 7.7381
17 4GID 0GH 0.03402 0.40104 7.7381
18 2YAJ 4HP 0.01445 0.40156 8.33333
19 3KA2 2NC 0.00813 0.46379 8.86699
20 3H9E NAD 0.04627 0.40178 8.92857
21 4IRX INS 0.0107 0.40969 10.119
22 4P5E N6P 0.03233 0.40191 11.1842
23 1GOT GDP 0.03718 0.4049 13.0952
24 3NUG NAD 0.02599 0.40796 13.6905
25 3NZW BOC TY5 ALA RE0 ABN 0.01869 0.41202 14.881
26 1F06 2NP 0.04562 0.40848 17.2619
27 1MLY ACZ PLP 0.01951 0.40396 18.4524
Pocket No.: 6; Query (leader) PDB : 4K7O; Ligand: EKZ; Similar sites found: 13
This union binding pocket(no: 6) in the query (biounit: 4k7o.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FBN 5WF 0.02604 0.40672 1.78571
2 1ORR CDP 0.01537 0.40307 2.97619
3 2DT9 THR 0.02408 0.40296 3.59281
4 1W78 PD8 0.03722 0.41726 4.7619
5 3NTY NAP 0.04034 0.41549 5.35714
6 2OOR TXP 0.04594 0.40531 6.54762
7 5W10 CMP 0.02403 0.40253 6.54762
8 2R5N R5P 0.01614 0.42519 7.7381
9 2VVT DGL 0.01241 0.40588 8.33333
10 3VSV XYS 0.01566 0.40012 8.33333
11 3QP4 HL0 0.0142 0.40166 8.92857
12 2H29 DND 0.02685 0.41522 10.119
13 4OYA 1VE 0.004173 0.48643 11.3095
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