Receptor
PDB id Resolution Class Description Source Keywords
5igj 1.4 Å EC: 2.-.-.- MACROLIDE 2'-PHOSPHOTRANSFERASE TYPE I - COMPLEX WITH GUANOS CLARITHROMYCIN ESCHERICHIA COLI MACROLIDE PHOSPHOTRANSFERASE KINASE TRANSFERASE-ANTIBIOTIC
Ref.: STRUCTURAL BASIS FOR KINASE-MEDIATED MACROLIDE ANTI RESISTANCE. STRUCTURE V. 25 750 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:403;
 Invalid;
 none;
 submit data
60.095 C3 H8 O CC(C)...
GMP A:401;
 Valid;
 none;
 submit data
283.241 C10 H13 N5 O5 c1nc2...
CTY A:402;
 Valid;
 none;
 Kd = 0.18 uM
747.953 C38 H69 N O13 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IGI 1.2 Å EC: 2.-.-.- MACROLIDE 2'-PHOSPHOTRANSFERASE TYPE I - COMPLEX WITH GUANOS AZITHROMYCIN ESCHERICHIA COLI MACROLIDE PHOSPHOTRANSFERASE KINASE TRANSFERASE-ANTIBIOTIC
Ref.: STRUCTURAL BASIS FOR KINASE-MEDIATED MACROLIDE ANTI RESISTANCE. STRUCTURE V. 25 750 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5IGT Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
2 5IGI Kd = 0.17 uM ZIT C38 H72 N2 O12 CC[C@@H]1[....
3 5IGP Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
4 5IGR - ZIO C35 H61 N O12 C[C@@H]1C[....
5 5IGS - GMP C10 H13 N5 O5 c1nc2c(n1[....
6 5IGJ Kd = 0.18 uM CTY C38 H69 N O13 CC[C@@H]1[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5IGT Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
2 5IGI Kd = 0.17 uM ZIT C38 H72 N2 O12 CC[C@@H]1[....
3 5IGP Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
4 5IGR - ZIO C35 H61 N O12 C[C@@H]1C[....
5 5IGS - GMP C10 H13 N5 O5 c1nc2c(n1[....
6 5IGJ Kd = 0.18 uM CTY C38 H69 N O13 CC[C@@H]1[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5IGY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5IGV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5IH1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5IGZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5IGW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5IH0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5IWU - ERY C37 H67 N O13 CC[C@@H]1[....
8 5IGT Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
9 5IGI Kd = 0.17 uM ZIT C38 H72 N2 O12 CC[C@@H]1[....
10 5IGP Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
11 5IGR - ZIO C35 H61 N O12 C[C@@H]1C[....
12 5IGS - GMP C10 H13 N5 O5 c1nc2c(n1[....
13 5IGJ Kd = 0.18 uM CTY C38 H69 N O13 CC[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMP; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 GMP 1 1
2 5GP 0.732394 0.866667
3 G 0.732394 0.866667
4 3GP 0.704225 0.853333
5 GDP 0.684211 0.88
6 GNH 0.675325 0.868421
7 GP3 0.671053 0.857143
8 GP2 0.662338 0.846154
9 GTP 0.658228 0.88
10 2GP 0.657534 0.866667
11 GDP MG 0.64557 0.833333
12 G2P 0.641975 0.846154
13 GSP 0.641975 0.835443
14 GDP BEF 0.6375 0.8125
15 ALF 5GP 0.6375 0.802469
16 GMV 0.6375 0.857143
17 GPG 0.635294 0.87013
18 GCP 0.62963 0.857143
19 G1R 0.62963 0.868421
20 GAV 0.626506 0.846154
21 GKE 0.625 0.87013
22 GDD 0.625 0.87013
23 GDC 0.625 0.87013
24 GNP 0.621951 0.857143
25 BEF GDP 0.614458 0.802469
26 GTP MG 0.614458 0.833333
27 GCP G 0.607143 0.844156
28 GDP ALF 0.593023 0.802469
29 GDP AF3 0.593023 0.802469
30 G G 0.590909 0.844156
31 G4P 0.588235 0.866667
32 G2R 0.586207 0.846154
33 G3D 0.583333 0.866667
34 P2G 0.576923 0.815789
35 SGP 0.576923 0.78481
36 GFB 0.565217 0.846154
37 GDR 0.565217 0.846154
38 GKD 0.56383 0.87013
39 P1G 0.5625 0.805195
40 0O2 0.561798 0.866667
41 YGP 0.56044 0.792683
42 6CK 0.55914 0.825
43 G3A 0.55914 0.857143
44 Y9Z 0.554348 0.817073
45 G5P 0.553191 0.857143
46 NOS 0.549296 0.940298
47 GTG 0.548387 0.825
48 JB2 0.547368 0.846154
49 GPD 0.541667 0.814815
50 GDX 0.541667 0.857143
51 U2G 0.54 0.848101
52 GDP 7MG 0.536842 0.822785
53 C2E 0.53012 0.828947
54 PCG 0.53012 0.84
55 35G 0.53012 0.84
56 CG2 0.529412 0.848101
57 5GP 5GP 0.52381 0.815789
58 MG7 0.520548 0.957143
59 JB3 0.514852 0.835443
60 G A A A 0.504762 0.857143
61 U A G G 0.5 0.844156
62 FEG 0.495146 0.77381
63 NGD 0.495146 0.846154
64 G U34 0.490385 0.825
65 ZGP 0.490385 0.764706
66 GH3 0.488889 0.855263
67 DGP 0.487805 0.797468
68 DG 0.487805 0.797468
69 G G U 0.484848 0.820513
70 2MD 0.481132 0.785714
71 G C 0.481132 0.835443
72 BGO 0.480769 0.8125
73 GPX 0.478261 0.828947
74 XTS 0.472973 0.913043
75 DGI 0.471264 0.810127
76 CAG 0.46789 0.776471
77 MGD 0.46789 0.785714
78 I2C FE2 CMO CMO 0.463636 0.730337
79 TPG 0.45614 0.741573
80 FE9 0.455357 0.684211
81 4BW 0.454545 0.828947
82 1YD 0.454545 0.828947
83 GGM 0.453704 0.792683
84 G G G RPC 0.453704 0.7875
85 SNI 0.453333 0.898551
86 PGD 0.451327 0.814815
87 MD1 0.451327 0.785714
88 DGT 0.450549 0.810127
89 APC G U 0.45045 0.797468
90 DBG 0.443478 0.835443
91 G1R G1R 0.443478 0.835443
92 13A 0.441558 0.768293
93 GPC 0.441441 0.795181
94 PGD O 0.439655 0.75
95 DG DG 0.43299 0.802469
96 G4M 0.430894 0.797619
97 G G G C 0.429825 0.802469
98 A G C C 0.426087 0.822785
99 U G A 0.424 0.825
100 1YC 0.421569 0.802632
101 AD3 0.421053 0.882353
102 4UR 0.416667 0.828947
103 G C C C 0.411765 0.8125
104 ADN 0.410959 0.882353
105 RAB 0.410959 0.882353
106 XYA 0.410959 0.882353
107 G1G 0.408696 0.814815
108 1DA 0.407895 0.882353
109 AC2 0.407895 0.797297
110 IMP 0.406977 0.84
111 A G U 0.404762 0.825
112 3ZE 0.404494 0.772152
113 MZR 0.402778 0.838235
114 CFE 0.4 0.857143
Ligand no: 2; Ligand: CTY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 CTY 1 1
2 ERY 0.831776 0.981481
3 ZIT 0.663934 0.881356
4 ERB 0.652542 0.962963
5 EY5 0.544715 0.981481
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IGI; Ligand: ZIT; Similar sites found: 142
This union binding pocket(no: 1) in the query (biounit: 5igi.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.04589 0.41156 None
2 4ZS4 ATP 0.01996 0.40172 0.996678
3 3PDT ADP 0.01707 0.41461 1.09091
4 2PZI AXX 0.008668 0.43311 1.66113
5 5X8I SQZ 0.02158 0.40956 1.66113
6 5FQK 6NT 0.04968 0.40591 1.85874
7 5DZT AMP 0.00009515 0.5569 1.99336
8 4OCJ NDG 0.0003897 0.42707 1.99336
9 5VCV 1N1 0.005981 0.41348 1.99336
10 5AX9 4KT 0.01396 0.41211 1.99336
11 5E4R 40E 0.03651 0.41052 1.99336
12 4XDZ 40E 0.03684 0.40952 1.99336
13 4YMJ 4EJ 0.04476 0.40909 1.99336
14 4Y85 499 0.02854 0.40034 1.99336
15 3DAK ANP 0.002587 0.45505 2.06897
16 1U59 STU 0.002884 0.4445 2.09059
17 4G86 BNT 0.04344 0.4048 2.11268
18 5I35 ANP 0.0003426 0.49305 2.32558
19 5JDA AMP 0.01852 0.43134 2.32558
20 2YW2 ATP 0.009292 0.41398 2.32558
21 4WB6 ATP 0.004539 0.4129 2.32558
22 2Q7D ANP 0.008347 0.40726 2.32558
23 4IZY 1J2 0.0131 0.40719 2.32558
24 1RE8 BD2 0.002611 0.40534 2.32558
25 4UX9 ANP 0.01502 0.40448 2.32558
26 3SLS ANP 0.01577 0.40068 2.32558
27 4YZN 4K5 0.0003673 0.46929 2.43902
28 2B6N ALA PRO THR 0.02857 0.4074 2.51799
29 2Z7R STU 0.0007157 0.46048 2.65781
30 5DXT 5H5 0.00112 0.45967 2.65781
31 4NFN 2KC 0.002418 0.45219 2.65781
32 4AUA 4AU 0.006999 0.42994 2.65781
33 3HZT J60 0.01711 0.42199 2.65781
34 5C1P ADP 0.01699 0.41832 2.65781
35 3UIM ANP 0.001438 0.45875 2.99003
36 5VZ0 ADP 0.005608 0.43458 2.99003
37 3WVR AMP 0.03281 0.40049 2.99003
38 3M2W L8I 0.007932 0.43505 3.01003
39 4XYM A12 0.003601 0.43623 3.04348
40 4E1Z 0MX 0.0133 0.40122 3.09278
41 1IA9 ANP 0.01474 0.40786 3.21429
42 3VOT ADP 0.0001565 0.52705 3.32226
43 4OCV ANP 0.0003817 0.48126 3.32226
44 4Y0X ADP 0.002011 0.46044 3.32226
45 4XH0 ADP 0.0101 0.4433 3.32226
46 4OTH DRN 0.01275 0.40481 3.32226
47 4UWH JXM 0.0008386 0.47912 3.65448
48 5U6C 7YS 0.00435 0.42564 3.65448
49 1ION ADP 0.02998 0.40245 3.7037
50 4AU8 Z3R 0.03686 0.40463 3.71622
51 4NST AF3 0.00006858 0.49578 3.73134
52 2YAK OSV 0.001807 0.42081 3.85965
53 2IF8 ADP 0.006665 0.45266 3.98671
54 3ALN ANP 0.002759 0.43792 3.98671
55 5CKW ANP 0.0001159 0.53375 3.99113
56 2YAB AMP 0.001012 0.46171 4.31894
57 2BP1 FLC 0.03714 0.4105 4.31894
58 5HX8 66P 0.006162 0.4074 4.31894
59 4BCN T9N 0.004059 0.44972 4.58015
60 4BCQ TJF 0.005677 0.44677 4.58015
61 4CFU 2WC 0.00916 0.42799 4.58015
62 4R78 AMP 0.008967 0.44094 4.65116
63 3CY2 MB9 0.001825 0.43893 4.65116
64 3RE4 TO1 0.01216 0.42967 4.65116
65 4WOV 3SM 0.01549 0.42036 4.65116
66 5LMK 6ZK 0.0243 0.407 4.65116
67 2PUL ACP 0.02108 0.40675 4.65116
68 2ZV2 609 0.004146 0.45381 4.69799
69 3F7Z 34O 0.0008112 0.47048 4.98339
70 3ORK AGS 0.002235 0.42866 4.98339
71 4NM5 ADP 0.005702 0.41732 4.98339
72 2JLD AG1 0.001735 0.41365 4.98339
73 4IX4 ADP 0.00003197 0.40595 4.98339
74 2AQX ATP 0.0139 0.40314 5.19031
75 2A19 ANP 0.0006882 0.49396 5.28169
76 1Q8Y ADE 0.006308 0.44902 5.31561
77 4BHN BH9 0.002756 0.43795 5.31561
78 5DMZ ADP 0.004966 0.43336 5.31561
79 4ANW O92 0.0006512 0.43238 5.31561
80 1XJD STU 0.006032 0.42586 5.31561
81 1Q8Y ADP 0.0182 0.40067 5.31561
82 4JR7 GNP 0.0004796 0.48123 5.64784
83 3GGF GVD 0.007988 0.43092 5.64784
84 1UNH IXM 0.03284 0.40377 5.76923
85 5NCY 8TK 0.0009241 0.43225 5.98007
86 3PE2 E1B 0.0009726 0.42088 5.98007
87 3LXN MI1 0.01117 0.41034 5.98007
88 4XDY HIO 0.04254 0.41029 5.98007
89 2PVN P63 0.005236 0.40511 5.98007
90 3K5I ADP 0.009741 0.41305 6.31229
91 3FHR P4O 0.01173 0.41246 6.31229
92 4NW6 2NS 0.003181 0.40616 6.31229
93 4Q5H ANP 0.0001452 0.50569 6.41026
94 2VZ6 FEF 0.001974 0.46548 6.64452
95 4X7Q 3YR 0.006956 0.42644 6.64452
96 5LPZ ADP 0.0077 0.42435 6.64452
97 4OH4 ANP 0.01457 0.41124 6.64452
98 5LPB ADP 0.04456 0.4003 6.75676
99 1W2D 4IP 0.005886 0.40823 6.79245
100 1W2D ADP 0.03293 0.40719 6.79245
101 4WNP 3RJ 0.002632 0.45919 6.96864
102 2VN9 GVD 0.02746 0.41512 6.97674
103 4LRJ ANP 0.01989 0.40798 7.10059
104 2R5T ANP 0.009708 0.4101 7.5067
105 2PYW ADP 0.005437 0.42456 7.6412
106 2B9J ADP 0.02003 0.40783 7.6412
107 2B9F ADP 0.02028 0.40441 7.6412
108 2B9I ADP 0.02472 0.40031 7.6412
109 3X01 AMP 0.002393 0.47795 7.97342
110 4V3I ASP LEU THR ARG PRO 0.02918 0.42023 8.17121
111 3KU0 ADE 0.04666 0.40815 8.36653
112 4WW7 AMP 0.000995 0.45412 8.42912
113 4FG8 ATP 0.005233 0.42206 8.63787
114 4BFM ANP 0.01115 0.41037 8.63787
115 5UOX 8GY 0.003513 0.42977 8.85609
116 5UGW GSH 0.01253 0.41952 9.14286
117 4IDT T28 0.003095 0.44703 10.299
118 2H8H H8H 0.002628 0.4464 11.2957
119 1Y57 MPZ 0.00418 0.42322 11.2957
120 3GC8 B45 0.01073 0.40817 11.2957
121 3V4S ATP 0.01513 0.40149 11.6279
122 3IDB ANP 0.003151 0.42857 11.8012
123 5W2I I3P 0.003585 0.42301 12.0623
124 5W2I ADP 0.003585 0.42301 12.0623
125 5LXT ACP 0.01388 0.4004 12.5874
126 4U98 ACP 0.004393 0.4397 12.6246
127 3W0O HY0 0.00008078 0.47383 13.6213
128 3W0O ADP 0.00008078 0.47383 13.6213
129 2BKK ADP 0.00005521 0.54357 13.6364
130 3TM0 ANP 0.0003389 0.44317 13.6882
131 3TM0 B31 0.0003824 0.43824 13.6882
132 5IQD RIO 0.00000561 0.49194 15.2824
133 5IQD GNP 0.000005058 0.48981 15.2824
134 4H3Q ANP 0.005509 0.41798 17.9402
135 3ZRM ZRM 0.005422 0.43155 18.75
136 3RV5 DXC 0.0003 0.41279 20.2247
137 4DFU QUE 0.0000888 0.55404 32.2259
138 4DFB KAN 0.02044 0.42621 32.2259
139 4DFU KAN 0.03479 0.40962 32.2259
140 5C4L SIS 0.00001633 0.45466 32.5581
141 5C4L 4XR 0.00002462 0.44928 32.5581
142 3TDV GDP 0.00003541 0.53457 39.8671
Pocket No.: 2; Query (leader) PDB : 5IGI; Ligand: GMP; Similar sites found: 144
This union binding pocket(no: 2) in the query (biounit: 5igi.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.04432 0.41156 None
2 4ZS4 ATP 0.01897 0.40172 0.996678
3 3PDT ADP 0.01627 0.41461 1.09091
4 2PZI AXX 0.008248 0.43311 1.66113
5 5X8I SQZ 0.02058 0.40956 1.66113
6 5FQK 6NT 0.04777 0.40591 1.85874
7 5DZT AMP 0.00008979 0.5569 1.99336
8 4OCJ NDG 0.0003271 0.4268 1.99336
9 5VCV 1N1 0.005634 0.41348 1.99336
10 5AX9 4KT 0.01326 0.41211 1.99336
11 5E4R 40E 0.03515 0.41052 1.99336
12 4XDZ 40E 0.03547 0.40952 1.99336
13 4YMJ 4EJ 0.04303 0.40909 1.99336
14 4Y85 499 0.02722 0.40034 1.99336
15 3DAK ANP 0.002449 0.45505 2.06897
16 1U59 STU 0.002725 0.4445 2.09059
17 4G86 BNT 0.04189 0.4048 2.11268
18 5I35 ANP 0.0003217 0.49305 2.32558
19 5JDA AMP 0.01779 0.43134 2.32558
20 2YW2 ATP 0.008796 0.41398 2.32558
21 4WB6 ATP 0.004342 0.41257 2.32558
22 1RE8 BD2 0.001997 0.41178 2.32558
23 2Q7D ANP 0.007873 0.40726 2.32558
24 4IZY 1J2 0.01242 0.40719 2.32558
25 4UX9 ANP 0.01424 0.40448 2.32558
26 3SLS ANP 0.01421 0.40166 2.32558
27 4YZN 4K5 0.0003429 0.46929 2.43902
28 2B6N ALA PRO THR 0.02755 0.4074 2.51799
29 2Z7R STU 0.0006705 0.46048 2.65781
30 5DXT 5H5 0.001053 0.45967 2.65781
31 4NFN 2KC 0.002286 0.45219 2.65781
32 4AUA 4AU 0.006641 0.42994 2.65781
33 5C1P ADP 0.01621 0.41832 2.65781
34 3HZT J60 0.01999 0.41746 2.65781
35 3UIM ANP 0.001356 0.45875 2.99003
36 5VZ0 ADP 0.005316 0.43458 2.99003
37 3WVR AMP 0.03134 0.40049 2.99003
38 3M2W L8I 0.007545 0.43505 3.01003
39 4XYM A12 0.003401 0.43623 3.04348
40 4E1Z 0MX 0.01258 0.40122 3.09278
41 1IA9 ANP 0.01399 0.40786 3.21429
42 3VOT ADP 0.0001472 0.52705 3.32226
43 4OCV ANP 0.0003577 0.48126 3.32226
44 4Y0X ADP 0.001902 0.46044 3.32226
45 4XH0 ADP 0.009659 0.4433 3.32226
46 4OTH DRN 0.01207 0.40481 3.32226
47 4UWH JXM 0.000791 0.47912 3.65448
48 5U6C 7YS 0.004101 0.42564 3.65448
49 1ION ADP 0.02862 0.40245 3.7037
50 4AU8 Z3R 0.0353 0.40463 3.71622
51 4NST AF3 0.00006561 0.49578 3.73134
52 2YAK OSV 0.001685 0.42081 3.85965
53 2IF8 ADP 0.006359 0.45266 3.98671
54 3ALN ANP 0.0026 0.43792 3.98671
55 5CKW ANP 0.000109 0.53375 3.99113
56 2YAB AMP 0.0009515 0.46171 4.31894
57 2BP1 FLC 0.0358 0.4105 4.31894
58 5HX8 66P 0.005793 0.4074 4.31894
59 4BCN T9N 0.003853 0.44972 4.58015
60 4BCQ TJF 0.005401 0.44677 4.58015
61 4CFU 2WC 0.008709 0.42799 4.58015
62 4R78 AMP 0.008554 0.44094 4.65116
63 3CY2 MB9 0.001713 0.43893 4.65116
64 3RE4 TO1 0.0116 0.42967 4.65116
65 3HYW DCQ 0.02342 0.42339 4.65116
66 4WOV 3SM 0.01477 0.42036 4.65116
67 5LMK 6ZK 0.02319 0.407 4.65116
68 2PUL ACP 0.02008 0.40675 4.65116
69 2ZV2 609 0.00394 0.45381 4.69799
70 3F7Z 34O 0.0007631 0.47048 4.98339
71 3ORK AGS 0.002095 0.42866 4.98339
72 4NM5 ADP 0.005376 0.41732 4.98339
73 2JLD AG1 0.001612 0.41365 4.98339
74 4IX4 ADP 0.00002966 0.41116 4.98339
75 2AQX ATP 0.01316 0.40314 5.19031
76 2A19 ANP 0.0006504 0.49396 5.28169
77 1Q8Y ADE 0.00601 0.44902 5.31561
78 4BHN BH9 0.002597 0.43795 5.31561
79 5DMZ ADP 0.004701 0.43336 5.31561
80 4ANW O92 0.0006031 0.43238 5.31561
81 1XJD STU 0.005707 0.42586 5.31561
82 1Q8Y ADP 0.01728 0.40067 5.31561
83 4JR7 GNP 0.0004503 0.48123 5.64784
84 3GGF GVD 0.00759 0.43092 5.64784
85 1UNH IXM 0.0314 0.40377 5.76923
86 5NCY 8TK 0.0008592 0.43225 5.98007
87 3PE2 E1B 0.0007927 0.42654 5.98007
88 3LXN MI1 0.01058 0.41034 5.98007
89 4XDY HIO 0.04097 0.41029 5.98007
90 2PVN P63 0.005436 0.40334 5.98007
91 3K5I ADP 0.009223 0.41305 6.31229
92 3FHR P4O 0.01113 0.41246 6.31229
93 4NW6 2NS 0.002966 0.40616 6.31229
94 4Q5H ANP 0.0001358 0.50569 6.41026
95 2VZ6 FEF 0.00187 0.46548 6.64452
96 4X7Q 3YR 0.006592 0.42644 6.64452
97 5LPZ ADP 0.0073 0.42435 6.64452
98 4OH4 ANP 0.01384 0.41124 6.64452
99 5LPB ADP 0.0427 0.4003 6.75676
100 1W2D ADP 0.03152 0.40719 6.79245
101 1W2D 4IP 0.006398 0.40562 6.79245
102 4WNP 3RJ 0.002495 0.45919 6.96864
103 2VN9 GVD 0.0263 0.41512 6.97674
104 4LRJ ANP 0.01894 0.40798 7.10059
105 2R5T ANP 0.009182 0.4101 7.5067
106 2PYW ADP 0.005137 0.42456 7.6412
107 2B9J ADP 0.01907 0.40783 7.6412
108 2B9F ADP 0.01929 0.40441 7.6412
109 2B9I ADP 0.02354 0.40031 7.6412
110 3X01 AMP 0.002279 0.47795 7.97342
111 4V3I ASP LEU THR ARG PRO 0.02804 0.42023 8.17121
112 3KU0 ADE 0.04496 0.40815 8.36653
113 4WW7 AMP 0.0009333 0.45412 8.42912
114 4FG8 ATP 0.004938 0.42206 8.63787
115 4BFM ANP 0.01057 0.41037 8.63787
116 5UOX 8GY 0.00331 0.42977 8.85609
117 5UGW GSH 0.01209 0.41952 9.14286
118 4IDT T28 0.002928 0.44703 10.299
119 5T8O 76Z 0.01717 0.4008 10.299
120 2H8H H8H 0.002482 0.4464 11.2957
121 1Y57 MPZ 0.003937 0.42322 11.2957
122 3GC8 B45 0.01015 0.40817 11.2957
123 3V4S ATP 0.01433 0.40149 11.6279
124 3IDB ANP 0.002965 0.42857 11.8012
125 5W2I I3P 0.003371 0.42301 12.0623
126 5W2I ADP 0.003371 0.42301 12.0623
127 5LXT ACP 0.01313 0.4004 12.5874
128 4U98 ACP 0.004161 0.4397 12.6246
129 3W0O HY0 0.00009614 0.46947 13.6213
130 3W0O ADP 0.00009614 0.46947 13.6213
131 2BKK ADP 0.0000517 0.54357 13.6364
132 3TM0 ANP 0.000313 0.44317 13.6882
133 3TM0 B31 0.0003711 0.43743 13.6882
134 5IQD RIO 0.000004403 0.49928 15.2824
135 5IQD GNP 0.000004562 0.49713 15.2824
136 4H3Q ANP 0.005194 0.41798 17.9402
137 3ZRM ZRM 0.005134 0.43155 18.75
138 3RV5 DXC 0.000288 0.41279 20.2247
139 4DFU QUE 0.00008365 0.55404 32.2259
140 4DFB KAN 0.02318 0.42221 32.2259
141 4DFU KAN 0.03891 0.40603 32.2259
142 5C4L SIS 0.00002333 0.45381 32.5581
143 5C4L 4XR 0.00003098 0.45033 32.5581
144 3TDV GDP 0.00003296 0.53457 39.8671
Pocket No.: 3; Query (leader) PDB : 5IGI; Ligand: ZIT; 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: 5igi.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5IGI; Ligand: GMP; 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: 5igi.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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