Receptor
PDB id Resolution Class Description Source Keywords
1PCW 1.85 Å EC: 2.5.1.55 AQUIFEX AEOLICUS KDO8PS IN COMPLEX WITH CADMIUM AND APP, A B INHIBITOR AQUIFEX AEOLICUS BETA(8)/ALPHA(8) BARREL LYASE
Ref.: STRUCTURE-BASED DESIGN OF NOVEL INHIBITORS OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE. DRUG DES.DISCOVERY V. 18 91 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:1270;
B:2270;
Invalid;
Invalid;
none;
none;
submit data
112.411 Cd [Cd+2...
H4P A:1268;
B:2268;
Valid;
Valid;
none;
none;
submit data
355.173 C7 H19 N O11 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NX1 1.8 Å EC: 2.5.1.55 STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEERED PATH METALLO TO NON-METALLO KDO8P SYNTHASE AQUIFEX AEOLICUS KDO KDO8P KDO8PS PEP A5P RP5 TRANSFERASE
Ref.: STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEE FROM METALLO TO NONMETALLO 3-DEOXY-D-MANNO-OCTULOSO 8-PHOSPHATE SYNTHASES. BIOCHEMISTRY V. 46 4532 2007
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
2 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
3 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
4 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
5 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
6 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
8 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
9 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
10 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
11 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
12 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
13 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
14 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
15 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
16 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
17 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
18 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
19 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
20 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
21 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
22 1FWT - E4P C4 H9 O7 P C([C@H]([C....
23 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
24 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
25 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
26 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
27 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
28 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
29 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
2 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
3 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
4 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
5 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
6 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
8 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
9 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
10 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
11 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
12 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
13 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
14 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
15 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
16 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
17 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
18 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
19 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
20 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
21 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
22 1FWT - E4P C4 H9 O7 P C([C@H]([C....
23 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
24 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
25 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
26 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
27 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
28 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
29 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PHW Ki = 0.5 mM N C5 H11 O7 P C1[C@@H]([....
2 1G7V Kd = 0.4 uM PAI C9 H23 N O13 P2 C([C@H]([C....
3 4Z1D - PEP C3 H5 O6 P C=C(C(=O)O....
4 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
5 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
6 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
7 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
8 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
9 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
10 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
11 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
12 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
13 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
14 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
15 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
16 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
17 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
18 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
19 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
20 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
21 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
22 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
23 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
24 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
25 1FWT - E4P C4 H9 O7 P C([C@H]([C....
26 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
27 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
28 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
29 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
30 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
31 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
32 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
33 3FYP - PEP C3 H5 O6 P C=C(C(=O)O....
34 3FYO - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: H4P; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 H4P 1 1
2 M2P 0.605263 0.785714
3 S6P 0.534884 0.785714
4 TX4 0.511111 0.72
5 G6Q 0.489362 0.744186
6 KD0 0.48 0.727273
7 6PG 0.479167 0.727273
8 LG6 0.479167 0.727273
9 I22 0.46 0.790698
10 PAN 0.46 0.72549
11 M6R 0.458333 0.844444
12 AGP 0.458333 0.844444
13 R5P 0.446809 0.744186
14 R52 0.446809 0.744186
15 LX1 0.444444 0.704545
16 DX5 0.444444 0.767442
17 LXP 0.444444 0.767442
18 A5P 0.444444 0.767442
19 R10 0.4375 0.727273
20 PA5 0.4375 0.727273
21 LRY 0.436364 0.770833
22 PAI 0.428571 0.888889
23 1NT 0.421053 0.727273
24 F6R 0.42 0.790698
25 TG6 0.42 0.790698
26 DG6 0.416667 0.75
27 5RP 0.408163 0.772727
28 HMS 0.408163 0.772727
29 5SP 0.408163 0.772727
30 HG3 0.404762 0.674419
31 2FP 0.403846 0.767442
32 P6T 0.403846 0.767442
33 P6F 0.403846 0.767442
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found: 404
This union binding pocket(no: 1) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JGS SAL 0.0003093 0.5463 None
2 1BTN I3P 0.002092 0.4975 None
3 1QH9 LAC 0.001016 0.47021 None
4 1Y9Q MED 0.001351 0.4645 None
5 1N9L FMN 0.0001067 0.45621 None
6 1UO4 PIH 0.01396 0.44382 None
7 1H8P PC 0.01701 0.43171 None
8 3T2W BTN 0.003371 0.42405 None
9 1Q0H FOM 0.0005043 0.42395 None
10 4F4S EFO 0.005948 0.42363 None
11 1Q0H NDP 0.0006593 0.42221 None
12 2E1A MSE 0.01043 0.4084 None
13 2ALG DAO 0.0001097 0.40328 None
14 2ALG HP6 0.0001097 0.40328 None
15 2P69 PLP 0.004568 0.43409 0.749064
16 1B74 DGN 0.01254 0.43168 0.787402
17 4COQ SAN 0.0003242 0.49314 0.809717
18 4HZO COA 0.001242 0.45306 1.1236
19 3D2Y AH0 ALA FGA LYS 0.00319 0.40401 1.14943
20 3LTW HLZ 0.004069 0.44236 1.49813
21 3PMA SCR 0.004175 0.43029 1.5444
22 1T0I FMN 0.001294 0.41788 1.57068
23 1DBT U5P 0.002366 0.4086 1.67364
24 5RHN 8BR 0.005606 0.4026 1.73913
25 4WBD ADP 0.00099 0.47832 1.87266
26 4EPM AMP 0.000256 0.4256 1.87266
27 1PX8 XYP 0.009381 0.4201 1.87266
28 4WBD CIT 0.02141 0.42004 1.87266
29 1V6A TRE 0.01045 0.418 1.87266
30 1V35 NAI 0.0007334 0.41462 1.87266
31 3GTD MLI 0.02334 0.40229 1.87266
32 3JQ3 ADP 0.01216 0.40133 1.87266
33 3WCS MAN NAG GAL 0.00703 0.41105 1.9685
34 1EDO NAP 0.007078 0.40192 2.04918
35 1XIU REA 0.001312 0.4218 2.17391
36 2YC5 6BC 0.0002958 0.41954 2.19298
37 1VE3 SAM 0.003056 0.40106 2.20264
38 3DGB MUC 0.00002403 0.5041 2.24719
39 3L24 GOA 0.0008274 0.49983 2.24719
40 1PEA ACM 0.006518 0.44588 2.24719
41 1R6W 164 0.0004342 0.44406 2.24719
42 1E4E ADP 0.0004518 0.43404 2.24719
43 4QVH FLC 0.04565 0.42562 2.24719
44 3MTW M3R 0.001583 0.42311 2.24719
45 1YHM AHD 0.00822 0.42267 2.24719
46 2ZJF BSU 0.003891 0.42151 2.24719
47 4WVH ASP HIS ASP ALA HIS ALA 0.005191 0.42114 2.24719
48 2CKM AA7 0.0006013 0.41731 2.24719
49 1A5Z OXM 0.03348 0.41026 2.24719
50 2YYJ 4HP 0.005961 0.41017 2.24719
51 2YYJ FAD 0.005961 0.41017 2.24719
52 5AZ8 MAL 0.01841 0.40459 2.24719
53 2CFU 1DB 0.001948 0.40419 2.24719
54 2BII MTV 0.001362 0.40238 2.24719
55 1EYQ NAR 0.004225 0.42489 2.25225
56 1JAC AMG 0.0005774 0.51871 2.25564
57 1KDK DHT 0.001484 0.4046 2.25989
58 2DTX BMA 0.0002656 0.42605 2.27273
59 2OHV NHL 0.007257 0.41503 2.27273
60 3F8C HT1 0.02141 0.40398 2.38095
61 1QDS PGA 0.007126 0.41081 2.39044
62 2JAR UMP 0.0003302 0.43886 2.5
63 3IBH GSH 0.002821 0.40226 2.57511
64 1O68 KIV 0.0002107 0.48635 2.62172
65 3CQ5 PMP 0.0002588 0.4757 2.62172
66 2VAR KDF 0.0003078 0.46042 2.62172
67 4CCN OGA 0.004514 0.44028 2.62172
68 2VAR KDG 0.001633 0.43183 2.62172
69 2HFK E4H 0.003953 0.43131 2.62172
70 1T26 GBD 0.002728 0.42721 2.62172
71 1T26 NAI 0.002728 0.42721 2.62172
72 4CCO OGA 0.005083 0.42659 2.62172
73 2YFT DQR 0.001739 0.42158 2.62172
74 4KCT PYR 0.005966 0.4186 2.62172
75 1UF5 CDT 0.006477 0.4125 2.62172
76 1A59 CIT 0.02679 0.40949 2.62172
77 4PNI KQQ 0.0006566 0.40896 2.62172
78 4KCT FDP 0.007137 0.40651 2.62172
79 1JH7 UVC 0.02345 0.4022 2.6455
80 6FIV 3TL 0.007109 0.40255 2.65487
81 4F8L GAL 0.001862 0.50215 2.75862
82 1F5F DHT 0.001911 0.41587 2.92683
83 1PKK DCP 0.002017 0.40022 2.94118
84 1XE7 GUN 0.009356 0.44523 2.95567
85 9LDT OXM 0.006851 0.4606 2.99625
86 4M51 BEZ 0.003353 0.46026 2.99625
87 2VDJ HSE 0.01422 0.42895 2.99625
88 2Z9V PXM 0.006309 0.42252 2.99625
89 1CKM GTP 0.0007855 0.42141 2.99625
90 3A1I UNU 0.004707 0.41815 2.99625
91 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.002372 0.41655 2.99625
92 1K6M AGS 0.001761 0.40216 2.99625
93 2BZ1 TAU 0.002065 0.49961 3.06122
94 3EJ0 11X 0.01746 0.4056 3.06122
95 1X1T NAD 0.004197 0.41086 3.07692
96 1OAA OAA 0.0005023 0.42193 3.0888
97 4K30 NLG 0.01496 0.40624 3.125
98 3GM5 CIT 0.001267 0.46578 3.14465
99 2XI7 XI7 0.008029 0.46615 3.26087
100 4KGM ATP 0.00384 0.41716 3.26531
101 1SS4 GSH 0.002223 0.49507 3.26797
102 1SS4 CIT 0.01797 0.45691 3.26797
103 4G28 0W8 0.002949 0.43144 3.3557
104 3BHO B4P 0.001158 0.50239 3.36538
105 2ZWS PLM 0.002722 0.4928 3.37079
106 3ZGE ASP 0.002666 0.46522 3.37079
107 3NFZ 3NF 0.0008677 0.44266 3.37079
108 2BO4 FLC 0.005632 0.44214 3.37079
109 1KTC NGA 0.002244 0.44195 3.37079
110 3P7I P7I 0.002541 0.43961 3.37079
111 2OWZ CIT 0.006483 0.433 3.37079
112 2ZJ5 ADP 0.008997 0.42091 3.37079
113 3DER ALA LYS 0.0006853 0.41944 3.37079
114 1KBI FMN 0.0002167 0.4166 3.37079
115 1KBI PYR 0.0002167 0.4166 3.37079
116 1U5R ATP 0.002521 0.41557 3.37079
117 1Z4V DAN 0.005498 0.411 3.37079
118 2Q8M AMP 0.006445 0.40827 3.37079
119 1LC8 33P 0.0004154 0.40818 3.37079
120 3PLN U5P 0.01371 0.40788 3.37079
121 2Q8M BG6 0.04151 0.40553 3.37079
122 3HAZ FAD 0.0001473 0.40549 3.37079
123 2B7N NTM 0.02233 0.40316 3.37079
124 1O7N IND 0.00168 0.40283 3.37079
125 2VPR TDC 0.0003473 0.44768 3.38164
126 4B16 NAG 0.01576 0.44096 3.38346
127 4WX0 HXD 0.002645 0.41478 3.42205
128 3QDT A2G GAL 0.01151 0.43356 3.4965
129 3QDY A2G GAL 0.01198 0.43269 3.4965
130 3QDY CBS 0.01083 0.42849 3.4965
131 2WGC SIA GAL BGC 0.02072 0.44269 3.50877
132 3SCH TB6 0.008484 0.42758 3.53535
133 1Y7P RIP 0.03133 0.41171 3.58744
134 3E81 SLB 0.004552 0.43416 3.65854
135 1B5E DCM 0.003057 0.43079 3.65854
136 4W6Z ETF 0.005425 0.45752 3.74532
137 3F3E LEU 0.00003605 0.45017 3.74532
138 3WO0 ALA 0.0001429 0.4305 3.74532
139 3WO0 ADP 0.0001429 0.4305 3.74532
140 1NML CIT 0.004572 0.42858 3.74532
141 1FP2 HMO 0.001269 0.42669 3.74532
142 3NNF AKG 0.009319 0.42569 3.74532
143 1WRA PC 0.01395 0.42319 3.74532
144 1GJW GLC 0.01439 0.42255 3.74532
145 1NHZ 486 0.0004339 0.42211 3.74532
146 3Q9T FAY 0.0003724 0.4203 3.74532
147 1GJW MAL 0.006509 0.41242 3.74532
148 1FP2 SAH 0.004088 0.41179 3.74532
149 1UOU CMU 0.004458 0.41034 3.74532
150 1SOW NAD 0.0006417 0.40532 3.74532
151 2HNK SAH 0.002198 0.406 3.76569
152 2QCX PF1 0.01543 0.4104 3.80228
153 1Y1A GSH 0.004884 0.47949 3.82514
154 2ORV 4TA 0.0009806 0.40352 3.84615
155 2IYG FMN 0.0005631 0.45007 4.03226
156 1IM8 SAI 0.001988 0.40389 4.09836
157 4LIT AKG 0.0003072 0.48645 4.11985
158 2W8Q SIN 0.00116 0.47502 4.11985
159 1H16 PYR 0.002814 0.46405 4.11985
160 3O2K DST 0.001843 0.44564 4.11985
161 4L7I SAM 0.0003372 0.44323 4.11985
162 2FGQ MLT 0.004684 0.43953 4.11985
163 2YVF NAD 0.0004807 0.43704 4.11985
164 2YVF FAD 0.0005377 0.43464 4.11985
165 4UAL 3FV 0.0005867 0.4345 4.11985
166 1WDA BAG 0.002936 0.43152 4.11985
167 1Q11 TYE 0.00469 0.4281 4.11985
168 3AYS CT3 0.003472 0.42353 4.11985
169 3PXP MYR 0.001504 0.41964 4.11985
170 4USS GSH 0.0076 0.41901 4.11985
171 1RYD GLC 0.01344 0.41831 4.11985
172 3W54 RNB 0.002909 0.41746 4.11985
173 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.000588 0.4165 4.11985
174 1H16 DTL 0.03493 0.41533 4.11985
175 2Y7G AAE 0.002709 0.4144 4.11985
176 2F2U M77 0.007749 0.40933 4.11985
177 5EQU AKG 0.03961 0.40656 4.11985
178 1DLJ UGA 0.003291 0.40155 4.11985
179 4E13 NAD 0.002506 0.40051 4.11985
180 1YRX FMN 0.002884 0.41338 4.13223
181 1VQ2 DDN 0.0004937 0.43722 4.14508
182 1H8G CHT 0.00811 0.4659 4.21053
183 1Y2W NAG 0.001688 0.46004 4.22535
184 3K3K A8S 0.0001231 0.44915 4.2654
185 4WNB 4BN 0.001491 0.41978 4.27807
186 4IXW IXW 0.003945 0.42614 4.33071
187 3W8S GSH 0.02049 0.40485 4.36893
188 3U1T MLI 0.001373 0.47151 4.49438
189 4LHM AZZ 0.005143 0.43179 4.49438
190 3MD0 GDP 0.003084 0.43062 4.49438
191 3MAG 3MA 0.02471 0.4303 4.49438
192 1VJO PLP 0.003397 0.41073 4.49438
193 5XHA FRU FRU 0.007959 0.40885 4.49438
194 2ZO9 MLI 0.008628 0.40531 4.49438
195 3B9Z CO2 0.03087 0.40145 4.49438
196 1Q6O LG6 0.001438 0.42466 4.62963
197 3NGU ADP 0.006296 0.40458 4.63576
198 1GU3 BGC BGC BGC BGC BGC 0.01109 0.41189 4.69799
199 2Q1A 2KT 0.0009135 0.47235 4.86891
200 4NAO AKG 0.002281 0.46096 4.86891
201 3GJB AKG 0.002063 0.43794 4.86891
202 2IZ1 ATR 0.005083 0.43789 4.86891
203 4C6F DOR 0.001802 0.43511 4.86891
204 4C6F NCD 0.001802 0.43511 4.86891
205 1Z45 GAL 0.009539 0.41473 4.86891
206 1I2B NAD 0.0214 0.40392 4.86891
207 1I2B USQ 0.0214 0.40392 4.86891
208 1I2B UPG 0.0214 0.40392 4.86891
209 4OJ8 AKG 0.002544 0.40381 4.86891
210 2NVK NAP 0.02054 0.40024 4.86891
211 2JBH 5GP 0.005751 0.41927 4.88889
212 1I1Q TRP 0.005968 0.4186 5.20833
213 2YDW WSH 0.003 0.42611 5.22876
214 3QV9 QV7 0.002064 0.44952 5.24345
215 3ZPG 5GP 0.008379 0.44772 5.24345
216 2NCD ADP 0.007303 0.42497 5.24345
217 2GWD GLU 0.004441 0.42398 5.24345
218 3QO8 SSA 0.00183 0.42076 5.24345
219 4J7H TLO 0.001149 0.4197 5.24345
220 4EPL JAI 0.003026 0.4126 5.24345
221 1A27 EST 0.004495 0.40618 5.24345
222 1QR0 COA 0.002092 0.43248 5.26316
223 1UCN ADP 0.00401 0.41211 5.26316
224 1WNG SAH 0.002534 0.40387 5.28302
225 2PR5 FMN 0.00005181 0.4673 5.30303
226 4U9W COA 0.004747 0.4015 5.31401
227 2VQ5 HBA 0.001796 0.46594 5.47264
228 2VQ5 LDP 0.03385 0.41606 5.47264
229 2Q09 DI6 0.00239 0.43527 5.52885
230 3SQG COM 0.0005018 0.522 5.61798
231 1Y42 TYR 0.000532 0.46897 5.61798
232 1AUX AGS 0.0007198 0.43127 5.61798
233 1C7S CBS 0.001757 0.43057 5.61798
234 4BG1 OGA 0.0005621 0.42233 5.61798
235 4BG1 IVL 0.0005621 0.42233 5.61798
236 4Q0A 4OA 0.001045 0.42116 5.61798
237 1QZZ SAM 0.003316 0.41528 5.61798
238 2YIV YIV 0.03047 0.41233 5.61798
239 4R33 SAH 0.0005208 0.40942 5.61798
240 4R33 TRP 0.0005208 0.40942 5.61798
241 4B9E FAH 0.02773 0.40877 5.61798
242 3WE0 FAD 0.001468 0.40725 5.61798
243 2YIV NBN 0.03475 0.404 5.61798
244 2GDZ NAD 0.0006084 0.40312 5.61798
245 1LYX PGA 0.00204 0.42337 5.64516
246 1S8F GDP 0.001161 0.43276 5.64972
247 2O66 FLC 0.005546 0.43032 5.92593
248 1SQ5 PAU 0.003361 0.43436 5.99251
249 4E28 9MZ 0.007338 0.4305 5.99251
250 1D6H COA 0.0005017 0.42194 5.99251
251 2RCN GDP 0.00473 0.41806 5.99251
252 4E28 0MZ 0.01683 0.4087 5.99251
253 1XVA SAM 0.00209 0.40675 5.99251
254 3QP4 HL0 0.001521 0.42375 6.04396
255 3U7Y FLC 0.02697 0.44034 6.11354
256 1XX4 BAM 0.01824 0.43013 6.13027
257 1QY1 PRZ 0.0003024 0.43138 6.32184
258 1H2K OGA 0.0006788 0.47831 6.36704
259 3P3N AKG 0.000779 0.47555 6.36704
260 2WA4 069 0.0003014 0.46078 6.36704
261 4B7E OGA 0.0012 0.46004 6.36704
262 2Q8H TF4 0.01746 0.43112 6.36704
263 2C7G ODP 0.0008767 0.42358 6.36704
264 2C7G FAD 0.0009293 0.42358 6.36704
265 3I0O ADP 0.00358 0.42298 6.36704
266 3IAE D7K 0.00007459 0.41358 6.36704
267 3I0O SMI 0.01487 0.41111 6.36704
268 1P1M MET 0.001013 0.41004 6.36704
269 1H2M OGA 0.02626 0.40474 6.36704
270 1E5F PLP 0.005094 0.40415 6.36704
271 1MZV AMP 0.005063 0.41686 6.38298
272 1GPJ CIT 0.01944 0.41084 6.43564
273 1QO0 BMD 0.005918 0.43483 6.63265
274 1POC GEL 0.005003 0.40067 6.71642
275 4M5P MLA 0.002221 0.48708 6.74157
276 2DWU DGL 0.001986 0.43864 6.74157
277 1UXG FUM 0.0001611 0.43152 6.74157
278 1UXG NAD 0.0001611 0.43152 6.74157
279 4NM5 ADP 0.0006416 0.41654 6.74157
280 1SC3 MLI 0.009203 0.4384 6.81818
281 3UEC ALA ARG TPO LYS 0.01331 0.42418 6.84932
282 1FW1 GSH 0.0004491 0.44859 6.94444
283 2PVQ GSH 0.004986 0.40073 6.96517
284 3BY8 MLT 0.008412 0.43376 7.04225
285 3TKA CTN 0.0001143 0.57744 7.11611
286 4JWX 1N4 0.0009205 0.45868 7.11611
287 4RJK PYR 0.008293 0.44066 7.11611
288 1I0Z OXM 0.01294 0.43791 7.11611
289 1EYE PMM 0.003402 0.41924 7.11611
290 3BK2 U5P 0.003914 0.41683 7.11611
291 1MOQ GLP 0.00181 0.41273 7.11611
292 4RJK TPP 0.000289 0.40945 7.11611
293 3TKA SAM 0.001965 0.40406 7.11611
294 2EB5 OXL 0.02717 0.40405 7.11611
295 2O2C G6Q 0.005213 0.40377 7.11611
296 3FPZ AHZ 0.01024 0.40095 7.11611
297 1CTU ZEB 0.000636 0.43322 7.14286
298 1IG3 VIB 0.0002352 0.40395 7.22433
299 3SHR CMP 0.0131 0.40002 7.35786
300 4OHB 5HM 0.004067 0.4078 7.36842
301 4AF5 CIT 0.02805 0.4034 7.36842
302 3EW2 BTN 0.002916 0.43165 7.40741
303 4IHQ ADP 0.0002452 0.47668 7.49064
304 2JFV FLC 0.002528 0.45192 7.49064
305 2ZYF AKG 0.003488 0.42838 7.49064
306 4JLV ADP 0.04055 0.42208 7.49064
307 3R51 MMA 0.00165 0.48431 7.5
308 1V7R CIT 0.0177 0.43821 7.52688
309 1KYV RBF 0.0008846 0.42802 7.54717
310 1OGD RIP 0.001019 0.45676 7.63359
311 1NF8 BOG 0.005279 0.44348 7.72947
312 1NF8 ISC 0.003629 0.41813 7.72947
313 2JC9 ADN 0.001558 0.44881 7.86517
314 1AUA BOG 0.002634 0.43894 7.86517
315 1DXY COI 0.02035 0.42765 7.86517
316 1L8N GCW 0.000515 0.41589 7.86517
317 2XK9 XK9 0.0006256 0.40836 7.86517
318 1TUV VK3 0.01177 0.44004 7.89474
319 2DVZ GLU 0.00667 0.41198 7.96178
320 1EB9 HBA 0.0007781 0.44453 8.01527
321 1T0S BML 0.0007282 0.49325 8.13953
322 3DX5 DHB 0.0000321 0.50617 8.2397
323 3I51 45C 0.000198 0.46798 8.2397
324 1TIW FAD 0.0003531 0.42101 8.2397
325 1TIW TFB 0.0003531 0.42101 8.2397
326 3SIX GDP 0.005557 0.41081 8.2397
327 4O8A FAD 0.0001305 0.40755 8.2397
328 4LO6 SIA GAL 0.01955 0.419 8.42105
329 2OFE NAG 0.001713 0.45974 8.4507
330 2OFD NGA 0.01227 0.42014 8.4507
331 1ZJ6 G3D 0.002207 0.42666 8.55615
332 5CKS 52L 0.0008425 0.50448 8.61423
333 3T1A 5MA 0.002547 0.40747 8.61423
334 4JRB PGT 0.007218 0.40632 8.61423
335 2XDQ MGX 0.002495 0.47501 8.98876
336 2Q3M MLA 0.006129 0.45477 8.98876
337 4OYA 1VE 0.0007621 0.44889 8.98876
338 1W7J ADP BEF 0.0002061 0.45099 9.27152
339 3F81 STT 0.007338 0.45071 9.28962
340 1Y75 NAG 0.009253 0.41059 9.32203
341 5D63 FUC GLA GLA 0.03173 0.40089 9.3633
342 5D63 FUC GAL GLA 0.01634 0.40019 9.3633
343 4L6C 0BT 0.0001199 0.44041 9.40594
344 1C1L GAL BGC 0.0003969 0.49732 9.48905
345 2V5E SCR 0.04182 0.41774 9.5
346 3WUD GLC GAL 0.00242 0.46731 9.55882
347 1TH8 ADP 0.006359 0.41283 9.65517
348 1Z42 HBA 0.004345 0.48498 9.73783
349 3DG6 MUC 0.00007937 0.47745 9.73783
350 1Z44 NPO 0.02655 0.43652 9.73783
351 1Z41 FMN 0.001873 0.42038 9.73783
352 1Z48 FMN 0.001958 0.41966 9.73783
353 1Z44 FMN 0.004611 0.40978 9.73783
354 1Z42 FMN 0.008265 0.40399 9.73783
355 2EJU SAH 0.003398 0.40304 9.73783
356 5T4J PLP ABU 0.008199 0.40016 9.73783
357 3PNA CMP 0.001424 0.4447 9.74026
358 3SJ0 DXC 0.01818 0.41764 9.85915
359 1G8S MET 0.01442 0.41688 10
360 2PP3 LGT 0.001092 0.43378 10.1124
361 1FBL HTA 0.003325 0.42429 10.1124
362 2DTJ THR 0.004319 0.41967 10.1124
363 1KYZ SAH 0.00253 0.40758 10.1124
364 1R27 MGD 0.001046 0.40412 10.1124
365 2Y6P CTP 0.0003996 0.46169 10.2564
366 1NU4 MLA 0.002619 0.49375 10.3093
367 1ULE GLA GAL NAG 0.01891 0.42275 10.6667
368 2V7T SAH 0.002559 0.42616 10.8614
369 2VKL MLT 0.01996 0.43536 11.1111
370 3CEV ARG 0.0008987 0.45306 11.236
371 2R5T ANP 0.0007013 0.4191 11.236
372 4JCA CIT 0.0001319 0.55337 11.3772
373 1MQ0 BRD 0.001444 0.42914 11.4286
374 2FR6 CTN 0.00008212 0.46023 11.6438
375 2FR6 URI 0.001948 0.4116 11.6438
376 4P9Z NMI PTR 02K ASN NH2 0.003067 0.43608 11.9658
377 3L6R MLI 0.002296 0.46082 11.985
378 3RGG AIR 0.01285 0.40036 12.5786
379 3KMT SAH 0.001807 0.42539 12.605
380 1VDC FAD 0.001118 0.41486 12.7341
381 2ZSC BTN 0.002366 0.4209 13.4752
382 1Q3Q ANP 0.003159 0.40689 13.8577
383 2C5S AMP 0.004444 0.42397 14.6067
384 2F01 BTQ 0.002832 0.41345 14.9606
385 1O9U ADZ 0.02216 0.42571 14.9813
386 2C2A ADP 0.0006814 0.43214 15.8915
387 1A5V Y3 0.01407 0.41219 16.4557
388 4N7C AEF 0.004398 0.44729 16.4773
389 4N02 FNR 0.001141 0.41815 16.4794
390 3CH5 GDP 0.004079 0.41612 17.3077
391 2YLD CMO 0.02222 0.40813 17.3228
392 2FOI JPA 0.002699 0.42798 18.3333
393 2QLX RM4 0.004821 0.44537 18.5185
394 1F1V DHY 0.007234 0.41509 18.7266
395 2FYU FDN 0.003402 0.40302 19.3548
396 4Q3F TLA 0.01945 0.41083 20.5128
397 1ECM TSA 0.001052 0.4502 22.0183
398 4EXO PYR 0.001481 0.47792 23.2877
399 2NLI LAC 0.001259 0.4216 25.4682
400 3RF4 FUN 0.009254 0.4153 25.8621
401 1RZM PEP 0.00000000008887 0.76173 45.3184
402 1RZM E4P 0.00000006585 0.67826 45.3184
403 3TFC PEP 0.00000000001082 0.80124 46.4419
404 4C1K PEP 0.0000000002235 0.47169 48.0916
Pocket No.: 2; Query (leader) PDB : 2NX1; Ligand: RP5; Similar sites found: 422
This union binding pocket(no: 2) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JGS SAL 0.0002376 0.55278 None
2 1BTN I3P 0.001866 0.50107 None
3 1H8P PC 0.01031 0.44303 None
4 1UO4 PIH 0.0147 0.4426 None
5 1Y9Q MED 0.005825 0.43515 None
6 1QH9 LAC 0.006664 0.43244 None
7 1Q0H FOM 0.0004943 0.42422 None
8 1Q0H NDP 0.0006769 0.42184 None
9 4F4S EFO 0.01175 0.41079 None
10 1UW1 ADP 0.01792 0.40747 None
11 2E1A MSE 0.01383 0.40324 None
12 2ALG DAO 0.0001213 0.40202 None
13 2ALG HP6 0.0001213 0.40202 None
14 2P69 PLP 0.004477 0.43448 0.749064
15 1B74 DGN 0.01715 0.43095 0.787402
16 4COQ SAN 0.0011 0.46862 0.809717
17 4HZO COA 0.001457 0.45005 1.1236
18 4C2G ALA ALA ALA ALA 0.01282 0.40464 1.1236
19 3D2Y AH0 ALA FGA LYS 0.001199 0.41905 1.14943
20 3LTW HLZ 0.00283 0.44966 1.49813
21 3PMA SCR 0.003077 0.43602 1.5444
22 1T0I FMN 0.001409 0.41657 1.57068
23 1DBT U5P 0.002553 0.40744 1.67364
24 5RHN 8BR 0.003254 0.41142 1.73913
25 4WBD ADP 0.0009041 0.48021 1.87266
26 1PX8 XYP 0.00109 0.46189 1.87266
27 3JQ3 ADP 0.000879 0.44778 1.87266
28 4EPM AMP 0.0002666 0.42504 1.87266
29 4WBD CIT 0.02299 0.41849 1.87266
30 1V35 NAI 0.0006727 0.41579 1.87266
31 3GTD MLI 0.01827 0.40709 1.87266
32 1V6A TRE 0.02176 0.40366 1.87266
33 1L5Y BEF 0.04803 0.40279 1.93548
34 3WCS MAN NAG 0.008748 0.41636 1.9685
35 3WCS MAN NAG GAL 0.005538 0.41527 1.9685
36 1SJW NGV 0.001681 0.42214 2.08333
37 1XIU REA 0.002118 0.41425 2.17391
38 2YC5 6BC 0.0003172 0.41862 2.19298
39 1VE3 SAM 0.0008454 0.42442 2.20264
40 3L24 GOA 0.006156 0.45467 2.24719
41 1R6W 164 0.0003669 0.4468 2.24719
42 1PEA ACM 0.00796 0.44155 2.24719
43 1E4E ADP 0.0004072 0.43564 2.24719
44 4QVH FLC 0.04577 0.42551 2.24719
45 4WVH ASP HIS ASP ALA HIS ALA 0.004234 0.42485 2.24719
46 2CKM AA7 0.0006111 0.41709 2.24719
47 3MTW M3R 0.002715 0.41436 2.24719
48 1A5Z OXM 0.02919 0.41327 2.24719
49 1MUU SUC 0.01889 0.40996 2.24719
50 2YYJ 4HP 0.006086 0.40986 2.24719
51 2YYJ FAD 0.006086 0.40986 2.24719
52 1E4E PHY 0.004583 0.40587 2.24719
53 2BII MTV 0.0011 0.40535 2.24719
54 2ZJF BSU 0.009915 0.40496 2.24719
55 3ZF8 GDP 0.01187 0.40176 2.24719
56 2R42 FPS 0.003233 0.40022 2.24719
57 1EYQ NAR 0.003991 0.42593 2.25225
58 1JAC AMG 0.0006079 0.5175 2.25564
59 1KDK DHT 0.001683 0.40281 2.25989
60 2DTX BMA 0.0002392 0.42746 2.27273
61 3F8C HT1 0.01892 0.40641 2.38095
62 1QDS PGA 0.009217 0.40625 2.39044
63 3O7B SAH 0.0007132 0.42703 2.45902
64 2JAR UMP 0.0003977 0.436 2.5
65 1O68 KIV 0.0002187 0.48565 2.62172
66 3CQ5 PMP 0.0003395 0.47077 2.62172
67 4CCN OGA 0.001179 0.46723 2.62172
68 1A59 CIT 0.006026 0.44073 2.62172
69 2HFK E4H 0.002698 0.43849 2.62172
70 2VAR KDF 0.001743 0.43071 2.62172
71 4KCT PYR 0.003428 0.4287 2.62172
72 4CCO OGA 0.005056 0.42669 2.62172
73 2YFT DQR 0.001595 0.42299 2.62172
74 1T26 NAI 0.004657 0.41898 2.62172
75 1T26 GBD 0.004657 0.41898 2.62172
76 4PNI KQQ 0.0006176 0.40979 2.62172
77 1TFZ 869 0.00237 0.40487 2.62172
78 1UF5 CDT 0.01042 0.40408 2.62172
79 4KCT FDP 0.00872 0.40307 2.62172
80 6FIV 3TL 0.006498 0.40405 2.65487
81 4F8L GAL 0.002268 0.49729 2.75862
82 3I6B KDO 0.01608 0.40487 2.77778
83 1F5F DHT 0.001706 0.41766 2.92683
84 1XE7 GUN 0.01662 0.43224 2.95567
85 9LDT OXM 0.007297 0.45912 2.99625
86 4M51 BEZ 0.004185 0.45547 2.99625
87 1ZED PNP 0.003168 0.45412 2.99625
88 2VDJ HSE 0.007201 0.44372 2.99625
89 1CKM GTP 0.0007205 0.4227 2.99625
90 2Z9V PXM 0.006971 0.42064 2.99625
91 3MA0 XYP 0.01819 0.41979 2.99625
92 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.00211 0.41845 2.99625
93 3A1I UNU 0.005688 0.4148 2.99625
94 4KOA NDP 0.003105 0.40821 2.99625
95 1BUC CAA 0.0009198 0.40439 2.99625
96 1K6M AGS 0.002549 0.40026 2.99625
97 2BZ1 TAU 0.001868 0.50207 3.06122
98 1X1T NAD 0.004148 0.41104 3.07692
99 1OAA OAA 0.0006301 0.41882 3.0888
100 1BGQ RDC 0.0004658 0.40181 3.11111
101 4K30 NLG 0.008961 0.41591 3.125
102 3GM5 CIT 0.003702 0.44426 3.14465
103 2XI7 XI7 0.02312 0.43996 3.26087
104 1SS4 CIT 0.0008541 0.55025 3.26797
105 1SS4 GSH 0.002695 0.49 3.26797
106 4G28 0W8 0.003581 0.4279 3.3557
107 3BHO B4P 0.0008701 0.50909 3.36538
108 3ZGE ASP 0.001217 0.48216 3.37079
109 2ZWS PLM 0.006866 0.47001 3.37079
110 2BO4 FLC 0.00159 0.46847 3.37079
111 3NFZ 3NF 0.0003689 0.45732 3.37079
112 2OWZ CIT 0.002129 0.45537 3.37079
113 1KTC NGA 0.001809 0.446 3.37079
114 3P7I P7I 0.002245 0.44194 3.37079
115 1UZ4 IFL 0.008737 0.43676 3.37079
116 2B7N NTM 0.006747 0.42651 3.37079
117 2ZJ5 ADP 0.008685 0.4216 3.37079
118 3DER ALA LYS 0.0008252 0.41673 3.37079
119 1Z4V DAN 0.005506 0.41097 3.37079
120 2Q8M AMP 0.005649 0.41053 3.37079
121 2Q8M BG6 0.03577 0.4088 3.37079
122 1T10 F6P 0.01707 0.40842 3.37079
123 2DKD NG1 0.02523 0.4081 3.37079
124 4QCK ASD 0.0005529 0.40782 3.37079
125 4IVG ANP 0.002213 0.40712 3.37079
126 1Z6K OAA 0.008389 0.40579 3.37079
127 1U5R ATP 0.005627 0.40253 3.37079
128 1O7N IND 0.001972 0.40055 3.37079
129 1JA9 NDP 0.00795 0.40021 3.37079
130 2VPR TDC 0.0003776 0.44633 3.38164
131 4B16 NAG 0.008472 0.4556 3.38346
132 4WX0 HXD 0.001835 0.42071 3.42205
133 3QDT A2G GAL 0.007484 0.44289 3.4965
134 3QDY A2G GAL 0.01616 0.42617 3.4965
135 3QDY CBS 0.01264 0.42526 3.4965
136 2WGC SIA GAL BGC 0.04185 0.42514 3.50877
137 1ZZ7 S0H 0.003998 0.4311 3.53535
138 3SCH TB6 0.01165 0.42119 3.53535
139 1Y7P RIP 0.02171 0.41974 3.58744
140 3E81 SLB 0.004914 0.43267 3.65854
141 1B5E DCM 0.01114 0.40719 3.65854
142 4PTZ FMN 0.003789 0.40506 3.66492
143 1GJW GLC 0.001713 0.46691 3.74532
144 1RYI GOA 0.01404 0.45195 3.74532
145 3NNF AKG 0.002752 0.45022 3.74532
146 3F3E LEU 0.00004014 0.44874 3.74532
147 4W6Z ETF 0.009553 0.44476 3.74532
148 1GJW MAL 0.00109 0.44399 3.74532
149 1NML CIT 0.002526 0.43973 3.74532
150 1FP2 HMO 0.001463 0.42438 3.74532
151 1WRA PC 0.01358 0.42376 3.74532
152 1D09 PAL 0.009325 0.41261 3.74532
153 3WO0 ADP 0.0006734 0.40995 3.74532
154 3WO0 ALA 0.0006734 0.40995 3.74532
155 1F3L SAH 0.001358 0.40586 3.74532
156 1FP2 SAH 0.006339 0.40446 3.74532
157 1NHZ 486 0.001551 0.40397 3.74532
158 2HNK SAH 0.001967 0.40766 3.76569
159 3QP6 HL6 0.00388 0.41266 3.77358
160 2QCX PF1 0.001206 0.45994 3.80228
161 1Y1A GSH 0.01077 0.45471 3.82514
162 2ORV 4TA 0.0005008 0.41264 3.84615
163 4DN8 BMA 0.02165 0.40866 3.84615
164 2IYG FMN 0.0007717 0.44467 4.03226
165 1WGC SIA GAL BGC 0.03383 0.42282 4.09357
166 1IM8 SAI 0.00245 0.40084 4.09836
167 4LIT AKG 0.0003165 0.48588 4.11985
168 2W8Q SIN 0.002674 0.45765 4.11985
169 4UAL 3FV 0.0002297 0.44928 4.11985
170 3AYS CT3 0.0009712 0.44602 4.11985
171 2FGQ MLT 0.004724 0.43936 4.11985
172 1WDA BAG 0.002467 0.43469 4.11985
173 2YVF FAD 0.0005815 0.43351 4.11985
174 4E13 NAD 0.0003506 0.42922 4.11985
175 4L7I SAM 0.0008568 0.42852 4.11985
176 2F2U M77 0.002657 0.42825 4.11985
177 1H16 DTL 0.01996 0.42809 4.11985
178 3O2K DST 0.005047 0.42672 4.11985
179 1Q11 TYE 0.005173 0.42625 4.11985
180 2YVF NAD 0.001263 0.42307 4.11985
181 3W54 RNB 0.002138 0.42259 4.11985
182 1RYD GLC 0.01134 0.42173 4.11985
183 1E2S CSN 0.002283 0.4215 4.11985
184 4USS GSH 0.008209 0.41756 4.11985
185 3PXP MYR 0.001727 0.41747 4.11985
186 1H16 PYR 0.02504 0.41662 4.11985
187 3PFG SAM 0.000831 0.41183 4.11985
188 3PFG TLO 0.000831 0.41183 4.11985
189 3ZUY TCH 0.007225 0.41057 4.11985
190 5EQU AKG 0.03661 0.40829 4.11985
191 3O2K QRP 0.01028 0.40432 4.11985
192 1DLJ UGA 0.003282 0.40159 4.11985
193 1YRX FMN 0.00137 0.42545 4.13223
194 1VQ2 DDN 0.0006893 0.43196 4.14508
195 1H8G CHT 0.02729 0.43584 4.21053
196 1Y2W NAG 0.001082 0.46897 4.22535
197 3K3K A8S 0.0001112 0.45067 4.2654
198 4WNB 4BN 0.002014 0.41504 4.27807
199 3MB5 SAM 0.003081 0.40247 4.31373
200 4IXW IXW 0.007812 0.41368 4.33071
201 2IMF TOM 0.001043 0.40268 4.4335
202 2IMF GSH 0.001043 0.40268 4.4335
203 3U1T MLI 0.001674 0.4674 4.49438
204 3MAG 3MA 0.01002 0.45165 4.49438
205 4LHM AZZ 0.01331 0.41328 4.49438
206 3B9Z CO2 0.01908 0.41122 4.49438
207 1VJO PLP 0.003679 0.40943 4.49438
208 3MAG SAH 0.003238 0.40019 4.49438
209 1Q6O LG6 0.001501 0.42397 4.62963
210 2Q1A 2KT 0.000777 0.4756 4.86891
211 3GJB AKG 0.0005477 0.46207 4.86891
212 4NAO AKG 0.002841 0.45639 4.86891
213 1Z45 GAL 0.001841 0.44566 4.86891
214 4C6F DOR 0.001893 0.43424 4.86891
215 4C6F NCD 0.001893 0.43424 4.86891
216 2IZ1 ATR 0.008782 0.42689 4.86891
217 2QV7 ADP 0.003368 0.41086 4.86891
218 1Z45 UPG 0.002178 0.40988 4.86891
219 4OJ8 AKG 0.001788 0.40909 4.86891
220 1I2B USQ 0.02683 0.40027 4.86891
221 1I2B NAD 0.02683 0.40027 4.86891
222 1I2B UPG 0.02683 0.40027 4.86891
223 2JBH 5GP 0.003079 0.43066 4.88889
224 4TMK T5A 0.006796 0.41881 5.16432
225 2YDW WSH 0.005013 0.41703 5.22876
226 2GWD GLU 0.002826 0.43222 5.24345
227 3I8P 840 0.001033 0.43002 5.24345
228 2NCD ADP 0.008094 0.42297 5.24345
229 3QV9 QV7 0.009454 0.41995 5.24345
230 4J7H TLO 0.00114 0.41982 5.24345
231 3QO8 SSA 0.002012 0.41922 5.24345
232 3ZPG 5GP 0.03158 0.41764 5.24345
233 4EPL JAI 0.002328 0.41686 5.24345
234 1QS8 IVA VAL VAL STA ALA STA 0.00271 0.40652 5.24345
235 1WNG SAH 0.0007649 0.4218 5.28302
236 1W1G 4PT 0.02588 0.42099 5.29801
237 2JGS BTN 0.009917 0.41646 5.38462
238 2QQ0 ANP 0.00005085 0.41764 5.43478
239 2QQ0 ADP 0.0001097 0.40956 5.43478
240 2QQ0 TMP 0.0001097 0.40956 5.43478
241 2QQ0 THM 0.0003253 0.40388 5.43478
242 2VQ5 HBA 0.004822 0.44537 5.47264
243 2VQ5 LDP 0.0193 0.42884 5.47264
244 2Q09 DI6 0.006957 0.4158 5.52885
245 1C7S CBS 0.0005053 0.45193 5.61798
246 1QZZ SAM 0.0005299 0.44583 5.61798
247 1Y42 TYR 0.002434 0.44042 5.61798
248 3SQG COM 0.01703 0.43912 5.61798
249 1AUX AGS 0.0006177 0.43368 5.61798
250 3WE0 FAD 0.0002693 0.43046 5.61798
251 4Q0A 4OA 0.0009942 0.42193 5.61798
252 4R33 TRP 0.0004177 0.41229 5.61798
253 4R33 SAH 0.0004177 0.41229 5.61798
254 4BG1 IVL 0.001489 0.40811 5.61798
255 4BG1 OGA 0.001489 0.40811 5.61798
256 2GDZ NAD 0.0006114 0.40306 5.61798
257 1QPB PYM 0.0006266 0.40286 5.61798
258 2QJN KDG 0.007382 0.40192 5.61798
259 1LYX PGA 0.002387 0.42076 5.64516
260 4E28 0MZ 0.001869 0.45145 5.99251
261 1SQ5 PAU 0.003445 0.4339 5.99251
262 4E28 9MZ 0.008893 0.42663 5.99251
263 2RCN GDP 0.003848 0.42171 5.99251
264 1D6H COA 0.0005638 0.42034 5.99251
265 1AJ8 CIT 0.0246 0.41484 5.99251
266 1XVA SAM 0.002067 0.40692 5.99251
267 1PTR PRB 0.0182 0.41762 6
268 3QP4 HL0 0.00348 0.41033 6.04396
269 2Q37 3AL 0.009189 0.4205 6.07735
270 1XX4 BAM 0.01361 0.43677 6.13027
271 1AX2 NDG GAL 0.005183 0.42622 6.27615
272 1QY1 PRZ 0.0002579 0.4337 6.32184
273 1H2M OGA 0.000556 0.48231 6.36704
274 1H2K OGA 0.0005684 0.48187 6.36704
275 3P3N AKG 0.000715 0.47727 6.36704
276 2WA4 069 0.0002792 0.46209 6.36704
277 4B7E OGA 0.001221 0.4597 6.36704
278 2Q8H TF4 0.0083 0.44793 6.36704
279 3I0O SMI 0.003295 0.44044 6.36704
280 3IAE D7K 0.0000726 0.41321 6.36704
281 1P1M MET 0.0009256 0.41132 6.36704
282 3I0O ADP 0.008363 0.40798 6.36704
283 1E5F PLP 0.004402 0.40652 6.36704
284 1MZV AMP 0.00484 0.41766 6.38298
285 2Y7P SAL 0.01938 0.40134 6.42202
286 1GPJ CIT 0.002459 0.45248 6.43564
287 1QO0 BMD 0.001114 0.46837 6.63265
288 4M5P MLA 0.0116 0.44819 6.74157
289 1UXG NAD 0.000188 0.42945 6.74157
290 1UXG FUM 0.000188 0.42945 6.74157
291 4M5P 23W 0.01902 0.42263 6.74157
292 4NM5 ADP 0.001659 0.40301 6.74157
293 1SC3 MLI 0.006748 0.44513 6.81818
294 3UEC ALA ARG TPO LYS 0.03889 0.40162 6.84932
295 4PU6 ASP 0.04228 0.40024 6.87023
296 1FW1 GSH 0.000536 0.44564 6.94444
297 3BY8 MLT 0.007922 0.43502 7.04225
298 3TKA CTN 0.00009826 0.58171 7.11611
299 4RJK PYR 0.0009394 0.48776 7.11611
300 4JWX 1N4 0.001243 0.45304 7.11611
301 1I0Z OXM 0.0132 0.43746 7.11611
302 3BK2 U5P 0.002753 0.42287 7.11611
303 1EYE PMM 0.003387 0.41931 7.11611
304 1MOQ GLP 0.001565 0.41496 7.11611
305 4RJK TPP 0.0002193 0.41294 7.11611
306 2O2C G6Q 0.004317 0.40684 7.11611
307 3TKA SAM 0.001835 0.40506 7.11611
308 2EB5 OXL 0.02876 0.40289 7.11611
309 1CTU ZEB 0.0004877 0.43741 7.14286
310 1IG3 VIB 0.0002285 0.405 7.22433
311 3SHR CMP 0.01054 0.40387 7.35786
312 4AF5 CIT 0.002875 0.44934 7.36842
313 4OHB 5HM 0.004438 0.40639 7.36842
314 3EW2 BTN 0.002729 0.43285 7.40741
315 2JFV FLC 0.003474 0.44554 7.49064
316 4IHQ ADP 0.01096 0.40751 7.49064
317 3R51 MMA 0.02671 0.42146 7.5
318 1V7R CIT 0.02011 0.43519 7.52688
319 1KYV RBF 0.0008411 0.42882 7.54717
320 2B82 ADN 0.0001084 0.40322 7.58294
321 2J5S KTA 0.002037 0.41091 7.60456
322 1OGD RIP 0.0008864 0.45939 7.63359
323 1NF8 BOG 0.01111 0.42795 7.72947
324 1NF8 ISC 0.008246 0.40403 7.72947
325 2JC9 ADN 0.001595 0.44836 7.86517
326 2XK9 XK9 0.0000399 0.44446 7.86517
327 1AUA BOG 0.003158 0.43553 7.86517
328 1DXY COI 0.03519 0.41516 7.86517
329 1L8N GCW 0.0005534 0.41489 7.86517
330 2AMV BIN 0.003055 0.40259 7.86517
331 1CBF SAH 0.00583 0.40196 7.86517
332 1TUV VK3 0.01878 0.42947 7.89474
333 2DVZ GLU 0.01222 0.40125 7.96178
334 1EB9 HBA 0.000733 0.44555 8.01527
335 1U3I GSH 0.006896 0.42609 8.05687
336 1T0S BML 0.003432 0.45976 8.13953
337 3DX5 DHB 0.0000343 0.505 8.2397
338 4O8A 2OP 0.007554 0.45006 8.2397
339 1TIW FAD 0.0003553 0.42093 8.2397
340 1TIW TFB 0.0003553 0.42093 8.2397
341 4O8A FAD 0.00007629 0.41417 8.2397
342 3SIX GDP 0.006123 0.40914 8.2397
343 3I51 45C 0.008561 0.40338 8.2397
344 2OFE NAG 0.001334 0.46475 8.4507
345 2OFD NGA 0.003594 0.44485 8.4507
346 3S9K CIT 0.000008424 0.64743 8.47458
347 1ZJ6 G3D 0.002137 0.42721 8.55615
348 5CKS 52L 0.0009781 0.50106 8.61423
349 4JRB PGT 0.005036 0.4125 8.61423
350 1V5F FAD 0.02363 0.40743 8.61423
351 1V5F TPP 0.02363 0.40743 8.61423
352 1LNX URI 0.01094 0.41214 8.64198
353 2BOI MFU 0.01432 0.40706 8.84956
354 2XDQ MGX 0.002205 0.47779 8.98876
355 2Q3M MLA 0.006404 0.45378 8.98876
356 4OYA 1VE 0.01034 0.40846 8.98876
357 3F81 STT 0.01403 0.43607 9.28962
358 1Y75 NAG 0.006129 0.41811 9.32203
359 5D63 FUC GLA GLA 0.02164 0.40867 9.3633
360 4L6C 0BT 0.000094 0.44388 9.40594
361 1C1L GAL BGC 0.0004282 0.49575 9.48905
362 2V5E SCR 0.01583 0.44085 9.5
363 3WUD GLC GAL 0.01507 0.4277 9.55882
364 1TH8 ADP 0.007353 0.41026 9.65517
365 1OF8 G3P 0.0000004652 0.48986 9.73783
366 1OF8 PEP 0.000000552 0.45873 9.73783
367 1Z42 HBA 0.01845 0.44849 9.73783
368 4OB6 S2T 0.0003883 0.44587 9.73783
369 1Z41 FMN 0.0004013 0.44534 9.73783
370 3DG6 MUC 0.001068 0.43416 9.73783
371 1Z44 FMN 0.00475 0.40928 9.73783
372 1Z42 FMN 0.009161 0.40222 9.73783
373 2EJU SAH 0.004051 0.40034 9.73783
374 3PNA CMP 0.00148 0.44399 9.74026
375 3SJ0 DXC 0.02055 0.41507 9.85915
376 1G8S MET 0.006198 0.4339 10
377 1Q3P GLU ALA GLN THR ARG LEU 0.005035 0.4217 10.0917
378 4UMA GZ3 0.0000004004 0.47564 10.1124
379 2DTJ THR 0.004191 0.4202 10.1124
380 1KYZ SAH 0.001592 0.41469 10.1124
381 1FBL HTA 0.01188 0.40176 10.1124
382 2Y6P CTP 0.0003604 0.46351 10.2564
383 1NU4 MLA 0.002768 0.4924 10.3093
384 2FFC U5P 0.001824 0.4126 10.4869
385 1ULE GLA GAL NAG 0.01504 0.42773 10.6667
386 2V7T SAH 0.003023 0.42362 10.8614
387 1AJ0 PH2 0.00749 0.41879 10.8614
388 2VKL MLT 0.02144 0.43367 11.1111
389 3CEV ARG 0.0009537 0.45198 11.236
390 2R5T ANP 0.001221 0.41101 11.236
391 1MQ0 BRD 0.007269 0.40218 11.4286
392 2FR6 CTN 0.0001767 0.44847 11.6438
393 2FR6 URI 0.001302 0.41779 11.6438
394 4P9Z NMI PTR 02K ASN NH2 0.002722 0.43832 11.9658
395 3L6R MLI 0.001935 0.46437 11.985
396 1TDF FAD 0.0001631 0.44059 11.985
397 1TDF NAP 0.00139 0.42721 11.985
398 3KMT SAH 0.000375 0.45159 12.605
399 1VDC FAD 0.003081 0.40075 12.7341
400 2ZSC BTN 0.007149 0.40245 13.4752
401 2VHJ ADP 0.002708 0.40287 13.4831
402 1Q3Q ANP 0.000995 0.42342 13.8577
403 2C5S AMP 0.005932 0.41871 14.6067
404 3KJQ B94 0.00568 0.41044 14.6341
405 2F01 BTN 0.006163 0.40208 14.9606
406 1O9U ADZ 0.02029 0.42771 14.9813
407 1A5V Y3 0.01417 0.41206 16.4557
408 4N7C AEF 0.02201 0.41363 16.4773
409 4NC7 I3C 0.03803 0.40209 17.1717
410 3CH5 GDP 0.003933 0.41675 17.3077
411 2YLD CMO 0.01176 0.42099 17.3228
412 2FOI JPA 0.002778 0.42747 18.3333
413 2QLX RM4 0.004664 0.44606 18.5185
414 1F1V DHY 0.003891 0.42639 18.7266
415 1ECM TSA 0.001637 0.44216 22.0183
416 1DCP HBI 0.0421 0.40729 23.0769
417 2NLI FMN 0.003007 0.4076 25.4682
418 3RF4 FUN 0.01633 0.40458 25.8621
419 1RZM PEP 0.0000001421 0.68871 45.3184
420 1RZM E4P 0.00002494 0.57221 45.3184
421 3TFC PEP 0.00000002385 0.47663 46.4419
422 4C1K PEP 0.00000006528 0.46581 48.0916
Pocket No.: 3; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2nx1.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2NX1; Ligand: RP5; 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: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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