Receptor
PDB id Resolution Class Description Source Keywords
1JQI 2.25 Å EC: 1.3.99.2 CRYSTAL STRUCTURE OF RAT SHORT CHAIN ACYL-COA DEHYDROGENASE WITH ACETOACETYL-COA RATTUS NORVEGICUS FLAVOPROTEIN ENZYME-INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF RAT SHORT CHAIN ACYL-COA DEHYD COMPLEXED WITH ACETOACETYL-COA: COMPARISON WITH OTH ACYL-COA DEHYDROGENASES. J.BIOL.CHEM. V. 277 12200 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAA A:400;
B:800;
Valid;
Valid;
none;
none;
submit data
851.607 C25 H40 N7 O18 P3 S CC(=O...
FAD A:399;
B:799;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQI 2.25 Å EC: 1.3.99.2 CRYSTAL STRUCTURE OF RAT SHORT CHAIN ACYL-COA DEHYDROGENASE WITH ACETOACETYL-COA RATTUS NORVEGICUS FLAVOPROTEIN ENZYME-INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF RAT SHORT CHAIN ACYL-COA DEHYD COMPLEXED WITH ACETOACETYL-COA: COMPARISON WITH OTH ACYL-COA DEHYDROGENASES. J.BIOL.CHEM. V. 277 12200 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UDY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3MDD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
6 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5AHS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 5AF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3PFD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
12 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
13 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1UKW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
18 1RX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAA; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 CAA 1 1
2 MLC 0.912 0.988506
3 1VU 0.880952 0.977273
4 ACO 0.879032 0.977273
5 1HE 0.867188 0.966292
6 3HC 0.867188 1
7 BCO 0.867188 0.988506
8 IVC 0.867188 1
9 SCA 0.853846 0.988506
10 3KK 0.850394 0.988506
11 COS 0.848 0.965909
12 CAO 0.848 0.955056
13 HGG 0.847328 0.988506
14 2MC 0.844961 0.945055
15 SOP 0.84375 0.965909
16 OXK 0.84375 0.988506
17 FAQ 0.840909 0.988506
18 CO6 0.837209 0.988506
19 HXC 0.834586 0.966292
20 GRA 0.834586 0.988506
21 TGC 0.828358 0.977273
22 MC4 0.825758 0.934783
23 CO8 0.822222 0.966292
24 FYN 0.821705 0.988372
25 COO 0.818182 0.988506
26 MCA 0.818182 0.977273
27 5F9 0.816176 0.966292
28 DCC 0.816176 0.966292
29 MFK 0.816176 0.966292
30 MYA 0.816176 0.966292
31 UCC 0.816176 0.966292
32 ST9 0.816176 0.966292
33 COK 0.815385 0.965909
34 0T1 0.809524 0.965517
35 COA 0.809524 0.988372
36 CMC 0.80916 0.965909
37 DCA 0.808 0.943182
38 COW 0.80597 0.977273
39 1GZ 0.80597 0.977273
40 BYC 0.80597 0.988506
41 IRC 0.80597 1
42 30N 0.804688 0.904255
43 CS8 0.804348 0.955556
44 BCA 0.8 0.977273
45 HDC 0.798561 0.966292
46 A1S 0.796992 0.965909
47 ETB 0.793651 0.910112
48 COF 0.792593 0.944444
49 AMX 0.790698 0.976744
50 YNC 0.787234 0.977273
51 2CP 0.785185 0.955056
52 SCO 0.784615 0.965517
53 CMX 0.784615 0.965517
54 2NE 0.782609 0.966292
55 1CZ 0.782609 0.977273
56 3CP 0.779412 0.965909
57 2KQ 0.779412 0.966292
58 FCX 0.778626 0.933333
59 FAM 0.778626 0.94382
60 4CA 0.773723 0.955056
61 HAX 0.772727 0.94382
62 WCA 0.765957 0.966292
63 SCD 0.762963 0.965517
64 CAJ 0.762963 0.94382
65 MCD 0.761194 0.94382
66 CA6 0.761194 0.876289
67 4KX 0.760563 0.955556
68 CCQ 0.757143 0.945055
69 CIC 0.757143 0.965909
70 NMX 0.755556 0.893617
71 MRS 0.755245 0.966292
72 MRR 0.755245 0.966292
73 1CV 0.753521 0.988506
74 4CO 0.751773 0.955056
75 0FQ 0.751773 0.965909
76 DAK 0.75 0.955556
77 0ET 0.746479 0.944444
78 01A 0.746479 0.923913
79 8Z2 0.744828 0.955556
80 CA8 0.741007 0.895833
81 YE1 0.73913 0.954545
82 UOQ 0.736111 0.944444
83 NHW 0.736111 0.944444
84 NHM 0.736111 0.944444
85 HFQ 0.731034 0.944444
86 1HA 0.724832 0.966292
87 NHQ 0.722973 0.977012
88 UCA 0.722581 0.966292
89 S0N 0.72028 0.94382
90 01K 0.72 0.965909
91 COT 0.715232 0.965909
92 CA3 0.694805 0.965909
93 CA5 0.683544 0.923913
94 CO7 0.678322 0.988506
95 93P 0.658385 0.955056
96 COD 0.656716 0.976744
97 93M 0.648485 0.955056
98 HMG 0.64 0.954545
99 PLM COA 0.631579 0.933333
100 COA PLM 0.631579 0.933333
101 COA MYR 0.631579 0.933333
102 5TW 0.62069 0.924731
103 4BN 0.62069 0.924731
104 OXT 0.618497 0.924731
105 JBT 0.594444 0.905263
106 BSJ 0.570621 0.934066
107 PAP 0.544715 0.802326
108 191 0.538462 0.876289
109 ACE SER ASP ALY THR NH2 COA 0.510638 0.922222
110 SFC 0.508982 0.966292
111 RFC 0.508982 0.966292
112 PPS 0.507812 0.744681
113 A3P 0.495935 0.790698
114 0WD 0.489933 0.78022
115 PTJ 0.439716 0.862069
116 3AM 0.435484 0.77907
117 3OD 0.429577 0.816092
118 PUA 0.427673 0.811111
119 A22 0.427536 0.804598
120 A2D 0.421875 0.793103
121 PAJ 0.421429 0.873563
122 SAP 0.41791 0.818182
123 ATR 0.41791 0.790698
124 AGS 0.41791 0.818182
125 OAD 0.415493 0.816092
126 ADP 0.412214 0.813953
127 A2R 0.410072 0.804598
128 NA7 0.405594 0.848837
129 BA3 0.40458 0.793103
130 ATP 0.402985 0.813953
131 AP5 0.401515 0.793103
132 B4P 0.401515 0.793103
133 ADQ 0.401408 0.795455
134 48N 0.401316 0.8
135 AQP 0.4 0.813953
136 2A5 0.4 0.837209
137 ME8 0.4 0.833333
138 AR6 0.4 0.793103
139 APR 0.4 0.793103
140 5FA 0.4 0.813953
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQI; Ligand: FAD; Similar sites found: 324
This union binding pocket(no: 1) in the query (biounit: 1jqi.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.009292 0.47214 None
2 3RF4 FUN 0.005398 0.43538 None
3 2WCI GSH 0.01539 0.41973 None
4 2RIF AMP 0.02758 0.40426 None
5 4AFK FLC 0.01872 0.43596 0.773196
6 1ZZ7 S0H 0.005809 0.43395 1.03093
7 3OND NAD 0.0004277 0.40528 1.03093
8 3OND ADN 0.0004277 0.40528 1.03093
9 1B5E DCM 0.0131 0.41362 1.21951
10 2C7G FAD 0.000167 0.42317 1.54639
11 1RYI FAD 0.0001427 0.41397 1.57068
12 3JQ3 ADP 0.00144 0.44981 1.63934
13 1KYZ SAH 0.006595 0.40264 1.64384
14 3WQM B29 0.002371 0.40197 1.66113
15 1O9U ADZ 0.002512 0.48525 1.71429
16 3IU9 T07 0.0003744 0.41501 1.73611
17 2Y7G AAE 0.003468 0.42059 1.77305
18 1R6D NAD 0.0004289 0.40992 1.78042
19 1R6D DAU 0.0005229 0.40663 1.78042
20 2NVK NAP 0.003604 0.44322 1.80412
21 3O2K QRP 0.002605 0.43897 1.80412
22 4CCO OGA 0.005184 0.43617 1.80412
23 2C5S AMP 0.004362 0.43437 1.80412
24 1OYB HBA 0.0001848 0.43064 1.80412
25 4J7H TRH 0.001352 0.42404 1.80412
26 2F2U M77 0.03334 0.40691 1.80412
27 4J7H TLO 0.007617 0.40033 1.80412
28 3DGB MUC 0.00617 0.41886 1.83246
29 2D2I NAP 0.0005769 0.42201 1.84211
30 3P7I P7I 0.001064 0.46688 1.86916
31 1A5Z OXM 0.04814 0.41084 1.88088
32 1YOA FMN 0.01543 0.45928 1.88679
33 1SS4 CIT 0.00005077 0.58335 1.96078
34 1SS4 GSH 0.004509 0.49605 1.96078
35 1B74 DGN 0.008853 0.44426 1.9685
36 3NGU ADP 0.005505 0.41673 1.98676
37 2VDJ HSE 0.001498 0.48839 1.99336
38 3DER ALA LYS 0.002333 0.41199 2.02899
39 4NTD FAD 0.000202 0.40401 2.05882
40 4C6F NCD 0.001469 0.44943 2.06186
41 4C6F DOR 0.001469 0.44943 2.06186
42 1E5F PLP 0.001813 0.4315 2.06186
43 2NCD ADP 0.01736 0.4173 2.06186
44 1LVL FAD 0.0001402 0.41417 2.06186
45 1Q3Q ANP 0.0004883 0.41092 2.06186
46 3B1J NAD 0.0004775 0.40829 2.0649
47 1I0Z NAI 0.0001445 0.42346 2.1021
48 2WK1 SAH 0.0005728 0.43335 2.12766
49 1MZV AMP 0.005879 0.42409 2.12766
50 1QZZ SAM 0.006494 0.41387 2.13904
51 4NAO AKG 0.006437 0.44917 2.14724
52 3DG6 MUC 0.001167 0.44355 2.17984
53 1HYE NAP 0.0003869 0.4314 2.23642
54 1SG4 CO8 0.000186 0.43056 2.30769
55 4DI8 0GY 0.02285 0.40833 2.31023
56 4M51 BEZ 0.005137 0.46099 2.31959
57 2Z9V PXM 0.004039 0.44101 2.31959
58 4C0C WVH 0.00004073 0.42975 2.31959
59 1TFZ 869 0.005459 0.40228 2.31959
60 3I0O ADP 0.00335 0.43438 2.35988
61 3I0O SMI 0.01132 0.42591 2.35988
62 1QDS PGA 0.0001869 0.48707 2.39044
63 1V6A TRE 0.005149 0.44173 2.40964
64 2IYG FMN 0.00558 0.42065 2.41935
65 1MOQ GLP 0.00235 0.41915 2.44565
66 4L6C 0BT 0.001352 0.4167 2.47525
67 1YRX FMN 0.00227 0.43205 2.47934
68 1T26 NAI 0.001362 0.41732 2.48447
69 1T26 GBD 0.001362 0.41732 2.48447
70 4JWX 1N4 0.001167 0.46509 2.5
71 2RCN GDP 0.0001749 0.48828 2.51397
72 3PLN U5P 0.007023 0.43027 2.57732
73 1C7S CBS 0.007637 0.41506 2.57732
74 1K6M AGS 0.003801 0.40134 2.57732
75 1PEA ACM 0.01443 0.43796 2.5974
76 1XIU REA 0.00132 0.43249 2.6087
77 5RHN 8BR 0.003874 0.41872 2.6087
78 2QV7 ADP 0.004286 0.41702 2.67062
79 1QH5 GSH 0.03706 0.40956 2.69231
80 3VV5 SLZ 0.03919 0.40685 2.69231
81 2Q1W NAD 0.0003217 0.40727 2.7027
82 2Q1A 2KT 0.001442 0.47393 2.73038
83 3F81 STT 0.009458 0.45457 2.73224
84 2JFV FLC 0.01821 0.42135 2.74914
85 3V91 UPG 0.003311 0.40339 2.74914
86 1NNS ASP 0.005483 0.42537 2.76074
87 2QLX RM4 0.002642 0.46826 2.77778
88 1SJW NGV 0.004446 0.4164 2.77778
89 3QDY A2G GAL 0.002252 0.47933 2.7972
90 3QDY CBS 0.004762 0.45563 2.7972
91 3QDT A2G GAL 0.01687 0.43447 2.7972
92 3E5H GNP 0.002543 0.40097 2.80899
93 3SJ0 DXC 0.01314 0.43383 2.8169
94 1JAY F42 0.02901 0.41006 2.83019
95 1Y42 TYR 0.00251 0.45024 2.83505
96 3GTD MLI 0.01088 0.42671 2.83505
97 1ZK7 FAD 0.00009653 0.42077 2.83505
98 3I8P 840 0.003761 0.41922 2.83505
99 4AT0 FAD 0.0002309 0.41259 2.83505
100 1EYE PMM 0.01069 0.40907 2.85714
101 1KYQ NAD 0.0005392 0.44266 2.91971
102 1G8S MET 0.006755 0.44196 3.04348
103 1HKU NAD 0.0002512 0.41331 3.07263
104 2O2C G6Q 0.003836 0.41889 3.09278
105 2RL1 UD1 0.001441 0.40587 3.09278
106 3MD0 GDP 0.00845 0.4219 3.09859
107 1QD0 RR6 0.00567 0.42036 3.125
108 1SB8 UD2 0.0006227 0.40453 3.125
109 3GJB AKG 0.003256 0.43987 3.1348
110 3P3N AKG 0.002669 0.46119 3.15186
111 2WA4 069 0.002462 0.43519 3.15186
112 1U5R ATP 0.005968 0.41144 3.16092
113 2R5T ANP 0.002462 0.41118 3.21716
114 3MAG 3MA 0.002458 0.49511 3.25733
115 3MAG SAH 0.004065 0.40688 3.25733
116 2ZO9 MLI 0.003587 0.43078 3.28467
117 3QP4 HL0 0.005554 0.41265 3.2967
118 4KOA NDP 0.000174 0.46568 3.3033
119 3SIX GDP 0.007646 0.41504 3.33333
120 3Q9T FAY 0.0001524 0.40721 3.35052
121 2BII MTV 0.002071 0.40706 3.35052
122 1F1V DHY 0.01049 0.41782 3.40557
123 1XE7 GUN 0.006789 0.46226 3.44828
124 2Q1S NAI 0.0002155 0.40917 3.44828
125 1E4E ADP 0.002629 0.41735 3.49854
126 1E4E PHY 0.004278 0.41705 3.49854
127 2OFE NAG 0.01225 0.42959 3.52113
128 4L8F MTX 0.03046 0.41693 3.52564
129 4IXW IXW 0.001865 0.45036 3.54331
130 1RZM E4P 0.001478 0.4807 3.5503
131 1RZM PEP 0.006732 0.43109 3.5503
132 1KTC NGA 0.0003297 0.48958 3.60825
133 2IZ1 ATR 0.009803 0.43423 3.60825
134 2Q09 DI6 0.004756 0.43274 3.60825
135 1DLJ UGA 0.0001334 0.42115 3.60825
136 1I2B USQ 0.008075 0.40263 3.60825
137 1I2B UPG 0.008075 0.40263 3.60825
138 1I2B NAD 0.008075 0.40263 3.60825
139 3BRE C2E 0.02334 0.41616 3.63128
140 4Q0A 4OA 0.002513 0.41807 3.64238
141 3GX0 GDS 0.004414 0.4056 3.72093
142 2PR5 FMN 0.0005227 0.44316 3.78788
143 1M5B BN1 0.0004575 0.41172 3.80228
144 1EB9 HBA 0.002007 0.43882 3.81679
145 4M5P MLA 0.001014 0.51645 3.86598
146 4M5P 23W 0.003312 0.47075 3.86598
147 1B7Y FYA 0.0001352 0.43865 3.86598
148 4KCT PYR 0.004554 0.43356 3.86598
149 1W7J ADP BEF 0.001432 0.43115 3.86598
150 4KCT FDP 0.003263 0.43019 3.86598
151 2V6O FAD 0.0006925 0.41688 3.86598
152 1YQT ADP 0.0442 0.40856 3.86598
153 2Q37 3AL 0.009639 0.42914 3.8674
154 4BI7 PGA 0.02147 0.42083 3.89105
155 3ZPG 5GP 0.001247 0.50142 3.9267
156 1S8F GDP 0.001253 0.44231 3.9548
157 2GJN FMN 0.001327 0.40701 3.96341
158 2GJN NIS 0.0008518 0.40683 3.96341
159 2IMG MLT 0.04063 0.40597 3.97351
160 3UU7 2OH 0.01492 0.4349 3.98406
161 2HFK E4H 0.001127 0.46577 4.07523
162 3OLL EST 0.01717 0.41108 4.16667
163 4J26 EST 0.02737 0.4078 4.16667
164 2J5S KTA 0.007078 0.40151 4.18251
165 4PTZ FMN 0.0005941 0.44557 4.18848
166 1Y2W NAG 0.01046 0.43288 4.22535
167 1NJR XYL 0.0004193 0.41623 4.22535
168 4K30 NLG 0.01002 0.42336 4.375
169 3CF6 SP1 0.0002403 0.46548 4.38144
170 2ZJF BSU 0.002171 0.44231 4.41989
171 2RHQ GAX 0.00363 0.40202 4.42177
172 4IMG NGF 0.001282 0.42488 4.43686
173 3I51 45C 0.006419 0.41816 4.44444
174 4GO7 THR 0.01436 0.40772 4.5
175 4MOB ADP 0.008097 0.4045 4.51807
176 2I7C AAT 0.0004082 0.40155 4.59364
177 1T10 F6P 0.0003396 0.49613 4.63918
178 4WVH ASP HIS ASP ALA HIS ALA 0.0007752 0.46686 4.63918
179 3A1I UNU 0.002315 0.44113 4.63918
180 1WDA BAG 0.01235 0.41474 4.63918
181 3TW1 AHN 0.0494 0.40793 4.64135
182 3LTW HLZ 0.0103 0.43321 4.64286
183 3TFC PEP 0.002055 0.45412 4.67532
184 1WGC SIA GAL BGC 0.0253 0.43872 4.67836
185 1EJE FMN 0.0007126 0.43821 4.6875
186 2B7N NTM 0.01068 0.42708 4.7619
187 4EXO PYR 0.002776 0.47468 4.79452
188 1F5F DHT 0.0001584 0.46722 4.87805
189 4RJK PYR 0.006565 0.45553 4.89691
190 2D4V FLC 0.03051 0.41268 4.89691
191 3HAZ FAD 0.0003298 0.40993 4.89691
192 2C2A ADP 0.007815 0.40332 5.03876
193 3A2Y TS5 0.003037 0.41883 5.07614
194 4ASJ N6A 0.001258 0.4143 5.11945
195 2XDQ MGX 0.001384 0.49902 5.15464
196 1P1M MET 0.002378 0.40831 5.15464
197 3TKA CTN 0.0002257 0.56093 5.18732
198 3TKA SAM 0.001116 0.42321 5.18732
199 4COQ SAN 0.009359 0.4352 5.26316
200 1G0N PHH 0.0000568 0.42226 5.30035
201 1G0N NDP 0.0001476 0.40757 5.30035
202 1ULE GLA GAL NAG 0.006646 0.45526 5.33333
203 1XX4 BAM 0.004092 0.47397 5.36398
204 2Q8H TF4 0.0008004 0.51167 5.41237
205 4OYA 1VE 0.003613 0.40621 5.41237
206 3UEC ALA ARG TPO LYS 0.0265 0.41867 5.47945
207 1FL2 FAD 0.00002274 0.41343 5.48387
208 2YLD CMO 0.007287 0.44039 5.51181
209 4KQP GLN 0.04169 0.41149 5.60345
210 3R51 MMA 0.0003717 0.52938 5.625
211 1TDF FAD 0.0005156 0.40209 5.6962
212 2BKA NDP 0.0004687 0.41159 5.78512
213 1JH7 UVC 0.001041 0.47372 5.82011
214 2HNK SAH 0.003094 0.41114 5.85774
215 4OB6 S2T 0.002679 0.42493 5.8651
216 2ZJ5 ADP 0.001884 0.46185 5.92783
217 4L7I SAM 0.002193 0.42418 5.92783
218 2NZ2 ASP 0.02581 0.40487 5.92783
219 2Y6P CTP 0.01373 0.40855 5.98291
220 1LNX URI 0.003079 0.44628 6.17284
221 1A27 EST 0.00265 0.42511 6.22837
222 1MXI SAH 0.007599 0.40037 6.25
223 1UF5 CDT 0.00351 0.43352 6.27063
224 1B63 ANP 0.002005 0.41084 6.30631
225 2ZSC BTN 0.004161 0.42157 6.38298
226 4DN8 BMA 0.001284 0.47632 6.41026
227 2ZWS PLM 0.02794 0.44416 6.4433
228 1GPM AMP 0.03554 0.41164 6.4433
229 4BG1 OGA 0.004168 0.40316 6.45995
230 4BG1 IVL 0.004168 0.40316 6.45995
231 2QCX PF1 0.001565 0.46557 6.46388
232 1VDC FAD 0.0001711 0.41615 6.60661
233 2O66 FLC 0.002937 0.45297 6.66667
234 2EB5 OXL 0.003076 0.45826 6.74157
235 3IP8 B85 0.02271 0.41561 6.85484
236 1QF5 GDP 0.00009867 0.42268 6.95876
237 1QF5 RPL 0.00009867 0.42268 6.95876
238 2WGC SIA GAL BGC 0.01772 0.45576 7.01754
239 4LHM AZZ 0.008376 0.43196 7.2165
240 2Q28 ADP 0.0008785 0.43077 7.2165
241 3D2Y AH0 ALA FGA LYS 0.0006439 0.43983 7.27969
242 1I2L DCS 0.002456 0.41475 7.43494
243 1R27 MGD 0.0002099 0.40101 7.47423
244 1CKM GTP 0.005242 0.40292 7.57576
245 3S9K CIT 0.006469 0.48583 7.62712
246 3SHR CMP 0.0109 0.41278 7.69231
247 2O4J VD4 0.0007941 0.41089 7.73196
248 2RGH FAD 0.00005881 0.4034 7.73196
249 2YDW WSH 0.003597 0.43308 7.84314
250 2V5E SCR 0.001748 0.50333 7.92079
251 1NU4 MLA 0.002116 0.5095 8.24742
252 2Y7P SAL 0.0005641 0.47917 8.25688
253 4B9E FAH 0.001145 0.48617 8.30565
254 2BTM PGA 0.04928 0.40148 8.33333
255 2X2T GAL NGA 0.04255 0.41595 8.49673
256 3E6J DR2 0.02832 0.4324 8.73362
257 1Z44 NPO 0.02093 0.45153 8.87574
258 1Z41 FMN 0.008995 0.40452 8.87574
259 1Z44 FMN 0.01297 0.40188 8.87574
260 4DYO SD4 0.01166 0.41583 9.02062
261 1N9L FMN 0.0008922 0.43462 9.17431
262 1TRD PGH 0.03412 0.40291 9.2
263 4F4S EFO 0.001564 0.45941 9.21053
264 2E1A MSE 0.001454 0.45504 9.33333
265 1H8G CHT 0.02043 0.45215 9.47368
266 1NYT NAP 0.001904 0.402 9.5941
267 3CH5 GDP 0.0005791 0.46088 9.61539
268 4OHB 5HM 0.00009479 0.4811 10
269 3BHO B4P 0.01853 0.4463 10.0962
270 1Q11 TYE 0.005129 0.43637 10.2151
271 1HDG NAD 0.0003547 0.42529 10.241
272 2W3L DRO 0.003966 0.4747 10.4167
273 2WMO GTP 0.00137 0.44077 10.5263
274 3CQ5 PMP 0.001016 0.46177 10.5691
275 3IB1 IMN 0.0411 0.40957 10.7246
276 3LZW FAD 0.0001014 0.41182 10.8434
277 3LZW NAP 0.00106 0.40223 10.8434
278 1VE3 SAM 0.002872 0.41594 11.0132
279 4F8L GAL 0.03732 0.43675 11.0345
280 1GJW MAL 0.0001489 0.49122 11.0825
281 1GJW GLC 0.007305 0.44645 11.0825
282 3EW2 BTN 0.002512 0.44475 11.1111
283 1FNZ A2G 0.003661 0.40189 11.3924
284 1Y9Q MED 0.004256 0.45153 11.4583
285 3BU1 HSM 0.04561 0.40703 11.4865
286 1T0S BML 0.03252 0.41334 11.6279
287 1SQ5 PAU 0.0008417 0.47142 12.013
288 1SQ5 ADP 0.01204 0.40694 12.013
289 2FR6 URI 0.001768 0.42369 12.3288
290 1B4P GPS 0.003976 0.41074 12.4424
291 4N7C AEF 0.0008754 0.49191 13.0682
292 4E13 NAD 0.001281 0.42111 13.0742
293 2YYJ 4HP 0.0002662 0.43309 13.1443
294 4MA6 28E 0.04138 0.40942 13.3758
295 3KMT SAH 0.002186 0.43271 13.4454
296 1LSS NAD 0.0006591 0.43122 13.5714
297 1QO0 BMD 0.007509 0.43976 13.7755
298 2FH5 GTP 0.002845 0.41245 14.0541
299 1ZJ6 G3D 0.001462 0.44444 14.4385
300 1ECM TSA 0.0006541 0.47006 14.6789
301 3QXC ATP 0.001922 0.40187 14.876
302 1Y75 NAG 0.001228 0.45821 15.2542
303 1GU3 BGC BGC BGC BGC BGC 0.0008781 0.4706 15.4362
304 1U8V FAD 0.00000001433 0.59853 15.7216
305 1BTN I3P 0.00413 0.49661 16.0377
306 2I74 MAN MAN MAN MAN 0.04511 0.40823 16.4021
307 4E28 0MZ 0.04048 0.40014 16.6154
308 3QV9 QV7 0.0007017 0.48161 17.7835
309 2BOI MFU 0.0103 0.42282 18.5841
310 1ZS6 ADP 0.01175 0.41567 20.1183
311 2FYU FDN 0.002266 0.41972 21.7949
312 2DDH HXD 0.000008457 0.43275 22.4227
313 2DDH FAD 0.0003033 0.42203 22.4227
314 3BY8 MLT 0.001058 0.48786 22.5352
315 3KPE TM3 0.04 0.40486 23.0769
316 2FOI JPA 0.001775 0.44598 23.3333
317 1W07 FAD 0.0000000009318 0.62506 23.9691
318 4Q3F TLA 0.03969 0.4077 26.4957
319 3DJL FAD 0.00000009166 0.55487 34.5361
320 3MKH FAD 0.0000005978 0.53028 38.6598
321 2C0U FAD NBT 0.000001373 0.51512 40.2062
322 4KCF FMN 0.0003003 0.4958 40.9794
323 3D9F FAD 0.000000591 0.46421 41.2371
324 1R2J FAD 0.0000000004097 0.77797 44.8087
Pocket No.: 2; Query (leader) PDB : 1JQI; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1jqi.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JQI; Ligand: CAA; Similar sites found: 283
This union binding pocket(no: 3) in the query (biounit: 1jqi.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.003934 0.46912 None
2 1UO5 PIH 0.008762 0.45967 None
3 3RF4 FUN 0.001707 0.44232 None
4 2ALG DAO 0.0002376 0.40734 None
5 2ALG HP6 0.0002376 0.40734 None
6 3OND ADN 0.0006187 0.43303 1.03093
7 3OND NAD 0.0006187 0.43303 1.03093
8 2XVE FAD 0.001486 0.42985 1.03093
9 1ZZ7 S0H 0.01088 0.40799 1.03093
10 4QDC ASD 0.001155 0.40053 1.03093
11 1B5E DCM 0.005055 0.41716 1.21951
12 4DQ2 BTX 0.001399 0.4002 1.21951
13 3F3E LEU 0.00001307 0.47717 1.28866
14 4RPM HXC 0.03785 0.42374 1.28866
15 1D6H COA 0.002281 0.40995 1.29199
16 4GQB 0XU 0.001251 0.42615 1.45349
17 3NKS FAD 0.0003652 0.42976 1.54639
18 2C7G ODP 0.001496 0.42511 1.54639
19 2C7G FAD 0.003238 0.41421 1.54639
20 1RYI GOA 0.0008319 0.42469 1.57068
21 1RYI FAD 0.0008384 0.42458 1.57068
22 1KYZ SAH 0.001087 0.41567 1.64384
23 1O9U ADZ 0.007244 0.44664 1.71429
24 1TUV VK3 0.006823 0.44797 1.75439
25 2Y7G AAE 0.002217 0.41295 1.77305
26 1R6D DAU 0.002097 0.41838 1.78042
27 1NHZ 486 0.0007701 0.40896 1.78571
28 2NVK NAP 0.003571 0.42866 1.80412
29 3O2K QRP 0.002514 0.42457 1.80412
30 2C5S AMP 0.005374 0.41606 1.80412
31 4CCO OGA 0.008953 0.41162 1.80412
32 4G1V FAD 0.01551 0.40784 1.80412
33 2F2U M77 0.008771 0.40282 1.80412
34 3DGB MUC 0.00692 0.40266 1.83246
35 3P7I P7I 0.001497 0.44475 1.86916
36 1YOA FMN 0.02161 0.43757 1.88679
37 1SS4 CIT 0.00003671 0.62871 1.96078
38 2VDJ HSE 0.003147 0.45704 1.99336
39 3DER ALA LYS 0.001306 0.40519 2.02899
40 4NTD FAD 0.002411 0.40398 2.05882
41 2NCD ADP 0.0006514 0.46686 2.06186
42 4C6F NCD 0.003179 0.42049 2.06186
43 4C6F DOR 0.003179 0.42049 2.06186
44 1LVL FAD 0.00239 0.40927 2.06186
45 1LVL NAD 0.0002741 0.40492 2.06186
46 1I0Z OXM 0.004381 0.45783 2.1021
47 1MZV AMP 0.00948 0.40146 2.12766
48 4NES UDP 0.0000973 0.40709 2.13904
49 4NAO AKG 0.0006827 0.48103 2.14724
50 3DG6 MUC 0.005728 0.40172 2.17984
51 2R40 EPH 0.0004167 0.41903 2.28137
52 3FXU TSU 0.0002422 0.41719 2.29508
53 1Q0H FOM 0.0002209 0.44623 2.31959
54 3NYQ AMP 0.0003043 0.42702 2.31959
55 3NYQ MCA 0.0004875 0.41904 2.31959
56 4M51 BEZ 0.02151 0.41587 2.31959
57 2Z9V PXM 0.009231 0.41105 2.31959
58 2YP9 SIA CMO 0.002818 0.4071 2.31959
59 1Z4V DAN 0.00621 0.40449 2.31959
60 1Q0H NDP 0.005066 0.40184 2.31959
61 2J07 FAD 0.001883 0.41742 2.38095
62 2J07 HDF 0.001883 0.41742 2.38095
63 1QDS PGA 0.005236 0.41181 2.39044
64 1V6A TRE 0.01548 0.40618 2.40964
65 2IYG FMN 0.003511 0.41413 2.41935
66 1YRX FMN 0.002108 0.41812 2.47934
67 1T26 NAI 0.005692 0.42379 2.48447
68 1T26 GBD 0.005692 0.42379 2.48447
69 4JWX 1N4 0.008829 0.41187 2.5
70 2RCN GDP 0.008587 0.40319 2.51397
71 1H0C AOA 0.005077 0.43983 2.57732
72 2YPO PHE 0.0002381 0.42596 2.57732
73 2C31 TZD 0.008427 0.40865 2.57732
74 1PEA ACM 0.004211 0.45082 2.5974
75 5RHN 8BR 0.001924 0.41521 2.6087
76 1XIU REA 0.00272 0.40566 2.6087
77 2Q1A 2KT 0.009571 0.42086 2.73038
78 3F81 STT 0.006119 0.45039 2.73224
79 2JFV FLC 0.01131 0.41755 2.74914
80 3V91 UPG 0.000611 0.41219 2.74914
81 2QLX RM4 0.001711 0.46218 2.77778
82 2XK9 XK9 0.002296 0.40004 2.79503
83 3QDY CBS 0.0007231 0.47985 2.7972
84 3QDT A2G GAL 0.001191 0.47776 2.7972
85 3QDY A2G GAL 0.001369 0.47479 2.7972
86 3SJ0 DXC 0.01756 0.41424 2.8169
87 4TMK T5A 0.03097 0.40112 2.8169
88 1Y42 TYR 0.00365 0.42825 2.83505
89 3GTD MLI 0.008811 0.41701 2.83505
90 4AT0 FAD 0.003249 0.40844 2.83505
91 1EYE PMM 0.006151 0.40465 2.85714
92 2HGZ PBF 0.0006787 0.4035 2.94118
93 1NZY BCA 0.0004205 0.41501 2.97398
94 1G8S MET 0.009502 0.421 3.04348
95 2YBQ UP2 0.0002855 0.43198 3.08219
96 2YBQ SAH 0.0002144 0.40446 3.08219
97 4PNI KQQ 0.000416 0.41 3.09278
98 2IXB A2G 0.001589 0.40995 3.09278
99 2IXB NAD 0.001143 0.40583 3.09278
100 1SB8 UD2 0.0003335 0.44601 3.125
101 1SB8 NAD 0.002468 0.41252 3.125
102 3GJB AKG 0.00437 0.41977 3.1348
103 2F01 BTQ 0.009751 0.40278 3.14961
104 3P3N AKG 0.006053 0.42996 3.15186
105 2WA4 069 0.006363 0.40408 3.15186
106 1U5R ATP 0.004966 0.40009 3.16092
107 2R5T ANP 0.0006045 0.41622 3.21716
108 3MAG 3MA 0.000108 0.55252 3.25733
109 2ZO9 MLI 0.008771 0.4007 3.28467
110 3QP4 HL0 0.0003534 0.44221 3.2967
111 1DXY NAD 0.02188 0.40087 3.3033
112 1C0I FAD 0.00009791 0.4582 3.30579
113 1C0I BE2 0.00009791 0.4582 3.30579
114 3SIX GDP 0.0014 0.42965 3.33333
115 4HA6 FAD 0.001092 0.42071 3.34646
116 3Q9T FAY 0.0005791 0.42439 3.35052
117 3K37 BCZ 0.01349 0.40285 3.35052
118 1F1V DHY 0.003226 0.42522 3.40557
119 1XE7 GUN 0.002729 0.46835 3.44828
120 2Q1S NAI 0.0003358 0.43794 3.44828
121 4O8A FAD 0.00114 0.40587 3.49345
122 2OFE NAG 0.00988 0.42023 3.52113
123 2NLI FMN 0.005794 0.4061 3.53261
124 2NLI LAC 0.006357 0.4061 3.53261
125 4IXW IXW 0.004217 0.42041 3.54331
126 1IUP ALQ 0.001519 0.40051 3.5461
127 1RZM E4P 0.006544 0.43461 3.5503
128 1RZM PEP 0.002775 0.43333 3.5503
129 1BGQ RDC 0.0001771 0.425 3.55556
130 2IZ1 ATR 0.002982 0.444 3.60825
131 2Q09 DI6 0.001229 0.44251 3.60825
132 1I2B NAD 0.0007889 0.4348 3.60825
133 1I2B USQ 0.0007889 0.4348 3.60825
134 1I2B UPG 0.0007889 0.4348 3.60825
135 4R33 SAH 0.001038 0.41119 3.60825
136 4R33 TRP 0.001038 0.41119 3.60825
137 4Q0A 4OA 0.0004608 0.42862 3.64238
138 1FIQ FAD 0.0001743 0.43623 3.71429
139 1FIQ SAL 0.001718 0.40155 3.71429
140 3GX0 GDS 0.002229 0.4011 3.72093
141 2PR5 FMN 0.001054 0.41613 3.78788
142 1EB9 HBA 0.002371 0.42076 3.81679
143 4M5P 23W 0.000225 0.51329 3.86598
144 4M5P MLA 0.003639 0.47093 3.86598
145 2V6O FAD 0.002828 0.42648 3.86598
146 1W7J ADP BEF 0.002743 0.40553 3.86598
147 2Q37 3AL 0.01152 0.41185 3.8674
148 3ZPG 5GP 0.02314 0.42068 3.9267
149 1P4C FMN 0.007629 0.40722 3.94737
150 2PT9 2MH 0.0003912 0.42488 4.04984
151 2PT9 S4M 0.0009128 0.40126 4.04984
152 2HFK E4H 0.004647 0.42378 4.07523
153 1TV5 N8E 0.00615 0.47422 4.12371
154 1DBT U5P 0.002838 0.40119 4.1841
155 1EP2 ORO 0.000768 0.41542 4.21456
156 1Y2W NAG 0.02697 0.40019 4.22535
157 1V35 NAI 0.000228 0.44133 4.25532
158 3NFZ 3NF 0.004688 0.40924 4.28135
159 4K30 NLG 0.005131 0.42194 4.375
160 3CF6 SP1 0.0001295 0.45819 4.38144
161 2RDT 2RD 0.003638 0.41876 4.39277
162 2RDT FMN 0.002277 0.41876 4.39277
163 4PLG NAI 0.002001 0.40553 4.49102
164 4PLG OXM 0.002001 0.40553 4.49102
165 4LWM MHO 0.02953 0.40027 4.60829
166 3A1I UNU 0.0005834 0.44996 4.63918
167 4WVH ASP HIS ASP ALA HIS ALA 0.00154 0.43848 4.63918
168 1WDA BAG 0.00444 0.41949 4.63918
169 1T10 F6P 0.01813 0.40312 4.63918
170 3LTW HLZ 0.003389 0.44146 4.64286
171 3TFC PEP 0.007703 0.41441 4.67532
172 2B7N NTM 0.01187 0.41127 4.7619
173 4EXO PYR 0.003584 0.45426 4.79452
174 1LDM NAD 0.008147 0.40494 4.86322
175 1F5F DHT 0.0004201 0.43462 4.87805
176 3OIG NAD 0.00899 0.40078 4.88722
177 4RJK PYR 0.006923 0.44019 4.89691
178 3S7O LBV 0.0003311 0.42295 4.95627
179 3TN7 NJP 0.001384 0.4032 5.05837
180 4ASJ N6A 0.0002744 0.41937 5.11945
181 2XDQ MGX 0.02979 0.41499 5.15464
182 3TKA CTN 0.005135 0.47547 5.18732
183 4COQ SAN 0.001811 0.45387 5.26316
184 1G0N PHH 0.001865 0.41087 5.30035
185 1G0N NDP 0.00304 0.40066 5.30035
186 1HDR NAD 0.002869 0.41115 5.32787
187 1ULE GLA GAL NAG 0.01995 0.41749 5.33333
188 1XX4 BAM 0.01078 0.4106 5.36398
189 2Q8H TF4 0.0004786 0.50703 5.41237
190 4OYA 1VE 0.01339 0.41156 5.41237
191 3W54 RNB 0.00003285 0.40645 5.47112
192 3UEC ALA ARG TPO LYS 0.02157 0.40998 5.47945
193 3ZEI AWH 0.001383 0.40035 5.48387
194 3KJQ B94 0.003195 0.41572 5.4878
195 2YLD CMO 0.002452 0.44787 5.51181
196 3R51 MMA 0.01349 0.43276 5.625
197 4RW3 PLM 0.03366 0.44161 5.62914
198 1TDF NAP 0.007257 0.41043 5.6962
199 1U7Z PMT 0.000881 0.41218 5.75221
200 1JH7 UVC 0.01482 0.40701 5.82011
201 4OB6 S2T 0.001025 0.42525 5.8651
202 1V7R CIT 0.0424 0.41353 5.91398
203 2ZJ5 ADP 0.001655 0.44903 5.92783
204 2CFU 1DB 0.00174 0.40108 5.92783
205 2Y6P CTP 0.007884 0.40468 5.98291
206 1A27 EST 0.003011 0.40807 6.22837
207 1MXI SAH 0.000954 0.41764 6.25
208 2P1O NLA 0.0004589 0.41695 6.25
209 2P1O IHP 0.0004589 0.41695 6.25
210 1UF5 CDT 0.005927 0.40965 6.27063
211 1T57 FMN 0.0001007 0.42242 6.31068
212 1RP0 AHZ 0.005633 0.4132 6.33803
213 2ZSC BTN 0.005171 0.4034 6.38298
214 2ZWS PLM 0.009565 0.45753 6.4433
215 1P9B IMO 0.0004672 0.40846 6.4433
216 2QCX PF1 0.00221 0.44349 6.46388
217 1VDC FAD 0.0001764 0.45164 6.60661
218 2O66 FLC 0.0009698 0.45925 6.66667
219 2EB5 OXL 0.002048 0.45143 6.74157
220 3WE0 FAD 0.001371 0.41739 6.95876
221 1QF5 GDP 0.002948 0.40988 6.95876
222 1QF5 RPL 0.002948 0.40988 6.95876
223 4LHM AZZ 0.005926 0.42461 7.2165
224 2IMP NAI 0.01042 0.40803 7.2165
225 2Q28 ADP 0.002092 0.40203 7.2165
226 1H9G COA MYR 0.0004056 0.41384 7.40741
227 2XCG XCG 0.0002591 0.4248 7.47423
228 1CKM GTP 0.01179 0.40193 7.57576
229 3S9K CIT 0.004044 0.4892 7.62712
230 3SHR CMP 0.00717 0.40633 7.69231
231 4FR3 0V4 0.01262 0.40114 7.69231
232 4FR3 LYS ARG ARG LYS SEP VAL 0.01262 0.40114 7.69231
233 3FC2 IBI 0.0001519 0.43213 7.76119
234 2YDW WSH 0.007072 0.40657 7.84314
235 2V5E SCR 0.005073 0.46321 7.92079
236 2JBH 5GP 0.004162 0.42064 8
237 1H2B NAJ 0.0004561 0.42137 8.07799
238 1NU4 MLA 0.001498 0.5027 8.24742
239 2Y7P SAL 0.0005115 0.46461 8.25688
240 4B9E FAH 0.007791 0.43102 8.30565
241 3E6J DR2 0.04294 0.40988 8.73362
242 1Z44 NPO 0.01332 0.44943 8.87574
243 1Z48 FMN 0.003827 0.40425 8.87574
244 1N9L FMN 0.0019 0.40725 9.17431
245 4F4S EFO 0.0009354 0.45345 9.21053
246 4B8V NDG NAG NAG NAG 0.000399 0.41406 9.21053
247 2PP3 LGT 0.0001665 0.45971 9.27835
248 2E1A MSE 0.006739 0.41199 9.33333
249 1H8G CHT 0.003923 0.47927 9.47368
250 3CH5 GDP 0.0046 0.40957 9.61539
251 3BHO B4P 0.01493 0.43806 10.0962
252 1Q11 TYE 0.003936 0.42686 10.2151
253 2W3L DRO 0.01549 0.42968 10.4167
254 3CQ5 PMP 0.001979 0.43397 10.5691
255 4F8L GAL 0.04967 0.41699 11.0345
256 1GJW GLC 0.002023 0.45874 11.0825
257 2VKL MLT 0.02943 0.42215 11.1111
258 3EW2 BTN 0.005633 0.41521 11.1111
259 1Y9Q MED 0.002144 0.45053 11.4583
260 1T0S BML 0.0007504 0.48762 11.6279
261 1C1L GAL BGC 0.003929 0.4451 11.6788
262 1SQ5 PAU 0.0008563 0.45508 12.013
263 1SQ5 ADP 0.004607 0.40954 12.013
264 3PFG SAM 0.002791 0.404 12.1673
265 3PFG TLO 0.002791 0.404 12.1673
266 4IAE 1DX 0.003724 0.40769 12.1693
267 2JGS BTN 0.01012 0.41179 12.3077
268 2FR6 URI 0.0004015 0.4307 12.3288
269 2FR6 CTN 0.001775 0.40827 12.3288
270 4N7C AEF 0.008274 0.42978 13.0682
271 3KMT SAH 0.004609 0.40529 13.4454
272 1QO0 BMD 0.007327 0.42617 13.7755
273 1ZJ6 G3D 0.001149 0.43297 14.4385
274 1ECM TSA 0.006369 0.41301 14.6789
275 1Y75 NAG 0.01118 0.40289 15.2542
276 1BTN I3P 0.00455 0.48338 16.0377
277 4E28 9MZ 0.02053 0.40565 16.6154
278 4E28 0MZ 0.02063 0.40063 16.6154
279 2FEQ 34P 0.001765 0.41237 16.6667
280 3QV9 QV7 0.0006819 0.46598 17.7835
281 2BOI MFU 0.0003259 0.47295 18.5841
282 3BY8 MLT 0.001791 0.46123 22.5352
283 2FOI JPA 0.0006534 0.44799 23.3333
Pocket No.: 4; Query (leader) PDB : 1JQI; Ligand: CAA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jqi.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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