Receptor
PDB id Resolution Class Description Source Keywords
4Q0P 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH L-RIBOSE ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
Z6J A:504;
A:503;
Invalid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C([C@...
NCO A:506;
Invalid;
none;
submit data
161.116 Co H18 N6 [NH3]...
CO A:501;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
0MK A:502;
A:505;
Valid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q0P 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH L-RIBOSE ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
2 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
3 4Q0V - QDK C5 H10 O5 C([C@@H]([....
4 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
5 4Q0U - ROR C5 H10 O5 C([C@@H]([....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0MK; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Q0P; Ligand: 0MK; Similar sites found: 149
This union binding pocket(no: 2) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01464 0.49288 None
2 3KPE TM3 0.003464 0.4911 None
3 2JGS BTN 0.04078 0.42795 None
4 1YRX FMN 0.02078 0.42519 None
5 3WAS BGC BMA 0.00147 0.42589 1.15385
6 1Z44 FMN 0.03622 0.41427 1.53846
7 1F1V DHY 0.019 0.43827 1.92308
8 3MAG 3MA 0.00254 0.53029 2.30769
9 4GZP G39 0.00001992 0.46423 2.30769
10 1ONX ASP 0.0003709 0.46122 2.30769
11 1UNB PN1 0.00002691 0.44275 2.30769
12 1UNB AKG 0.00008301 0.43711 2.30769
13 1YBQ BDH 0.0005279 0.43248 2.30769
14 3MAG SAH 0.01322 0.42091 2.30769
15 1K27 MTM 0.004393 0.41024 2.30769
16 1W31 SHO 0.0001781 0.40987 2.30769
17 1MXI SAH 0.01215 0.42548 2.5
18 3S9K CIT 0.01481 0.49622 2.54237
19 3WSJ MK1 0.0001161 0.42275 2.58621
20 1SQ5 ADP 0.004893 0.45756 2.5974
21 1SQ5 PAU 0.0356 0.4289 2.5974
22 4Q3S X7A 0.000658 0.45064 2.69231
23 3DGB MUC 0.01233 0.43914 2.69231
24 2ZO9 MLI 0.03963 0.41736 2.69231
25 3I0O ADP 0.04472 0.41657 2.69231
26 2BH9 NAP 0.02979 0.41496 2.69231
27 1RLZ NAD 0.00001058 0.41338 2.69231
28 1VL8 NAP 0.006766 0.40194 2.69231
29 4P4T GDP 0.04459 0.40169 2.69231
30 2BES RES 0.04955 0.41116 2.90698
31 1DBT U5P 0.0142 0.42266 2.92887
32 1UGX GAL MGC 0.0001258 0.47094 3.00752
33 1PJ6 FOL 0.00000196 0.4803 3.07692
34 2NCD ADP 0.01812 0.44824 3.07692
35 1B7Y FYA 0.001664 0.44072 3.07692
36 2QV7 ADP 0.01381 0.42966 3.07692
37 1HKU NAD 0.00363 0.41531 3.07692
38 2GJN FMN 0.01258 0.40835 3.07692
39 4L1F COS 0.02764 0.4002 3.07692
40 1VE3 SAM 0.02944 0.40934 3.0837
41 4RLE 2BA 0.003598 0.4131 3.4188
42 2QCX PF1 0.01331 0.45512 3.46154
43 2WLT ASP 0.001138 0.43774 3.46154
44 1EYE PMM 0.02602 0.42418 3.46154
45 1E8G FAD 0.00000002359 0.41442 3.46154
46 1E8G FCR 0.00000005195 0.4135 3.46154
47 1NYT NAP 0.01893 0.40177 3.46154
48 2R5T ANP 0.03451 0.40122 3.46154
49 3K37 BCZ 0.0000001484 0.40058 3.46154
50 1C1L GAL BGC 0.01563 0.46221 3.64964
51 1ZJ6 G3D 0.04202 0.4145 3.74332
52 2Y7G AAE 0.00759 0.44104 3.84615
53 5AYC BGC BMA 0.002875 0.43645 3.84615
54 4JTA NAP 0.00001733 0.40174 3.84615
55 1RN8 DUP 0.008334 0.41891 3.94737
56 3NGU ADP 0.009287 0.44089 3.97351
57 1TV5 A26 0.001493 0.45231 4.23077
58 1TV5 ORO 0.007319 0.4399 4.23077
59 3HAZ NAD 0.001714 0.42885 4.23077
60 2F2U M77 0.02958 0.42514 4.23077
61 1TV5 FMN 0.0003389 0.42367 4.23077
62 1TV5 N8E 0.01387 0.42309 4.23077
63 3NKT 1HN 0.004337 0.42269 4.23077
64 3HAZ FAD 0.008737 0.40251 4.23077
65 4IEN GDP 0.0001027 0.47945 4.29448
66 4IEN COA 0.00009653 0.46477 4.29448
67 3RF4 FUN 0.003391 0.47976 4.31034
68 3AIQ HBO 0.000262 0.42004 4.61538
69 2QLX RM4 0.04911 0.43489 4.62963
70 3MPB FRU 0.0007085 0.55314 4.87805
71 3F81 STT 0.04563 0.44764 4.91803
72 5D6C 57S 0.0181 0.47488 5
73 1J2Z SOG 0.001568 0.46876 5
74 4E28 9MZ 0.04084 0.43448 5
75 1SJD NPG 0.003891 0.43 5
76 1FNZ A2G 0.0008341 0.46218 5.06329
77 2Q8H TF4 0.02508 0.46299 5.38462
78 2RHQ GAX 0.00402 0.4355 5.38462
79 1FWY UD1 0.005994 0.40579 5.38462
80 1A8S PPI 0.006988 0.45257 5.76923
81 4LHM AZZ 0.03229 0.43531 5.76923
82 3I8P 840 0.02924 0.41532 5.76923
83 2V5E SCR 0.03419 0.4618 5.94059
84 1ULE GLA GAL NAG 0.01856 0.4527 6
85 3A2Y TS5 0.01724 0.42219 6.09137
86 1I2L DCS 0.01266 0.42169 6.15385
87 1I0Z NAI 0.003003 0.42054 6.15385
88 1SJW NGV 0.01031 0.43522 6.25
89 3IPQ 965 0.008224 0.40559 6.36042
90 1SS4 CIT 0.0005789 0.59153 6.53595
91 1SS4 GSH 0.003897 0.5311 6.53595
92 1Y42 TYR 0.03559 0.42891 6.53846
93 2BJF DXC 0.000341 0.42359 6.53846
94 1QO0 BMD 0.01512 0.45741 6.63265
95 4COQ SAN 0.009572 0.46788 6.88259
96 2WL9 MBD 0.0001788 0.48017 6.88525
97 2WA4 069 0.003643 0.46343 6.92308
98 4P53 NAI 0.004478 0.41958 6.92308
99 1I2B USQ 0.0000005347 0.40951 6.92308
100 1I2B NAD 0.0000005347 0.40951 6.92308
101 1I2B UPG 0.0000005347 0.40951 6.92308
102 1TUV VK3 0.03286 0.45608 7.01754
103 2QQ0 ANP 0.002347 0.42166 7.06522
104 2QQ0 ADP 0.005672 0.40881 7.06522
105 2QQ0 TMP 0.005672 0.40881 7.06522
106 4Q0A 4OA 0.003615 0.44748 7.30769
107 2RL1 UD1 0.005765 0.42085 7.30769
108 1N9L FMN 0.02027 0.41617 7.33945
109 2YP9 SIA CMO 0.001567 0.46876 7.69231
110 3OYZ ACO 0.0001336 0.44685 7.69231
111 3TI8 LNV 0.0001835 0.43612 7.69231
112 1E1O LYS 0.01162 0.40962 7.69231
113 2EB5 OXL 0.01641 0.45553 8.07692
114 2C5S AMP 0.008582 0.455 8.07692
115 1YOA FAD 0.02167 0.40679 8.1761
116 3BY8 MLT 0.01494 0.46328 8.4507
117 1A5Z OXM 0.00001632 0.63533 8.46154
118 1A5Z FBP 0.0000969 0.50795 8.46154
119 1A5Z NAD 0.0000226 0.44096 8.46154
120 2XDQ MGX 0.01742 0.47226 8.84615
121 1BGV GLU 0.001286 0.41361 8.84615
122 1EJE FMN 0.02923 0.40946 8.85417
123 3SHR CMP 0.006302 0.45686 9.23077
124 3UC5 ATP 0.00008399 0.40782 9.55414
125 3QDT A2G GAL 0.04154 0.44421 9.79021
126 4PTZ FMN 0.01622 0.42333 9.94764
127 4FUA PGH 0.003082 0.42805 10.2326
128 3KJQ B94 0.001186 0.48572 10.3659
129 3CF6 SP1 0.02256 0.42029 10.3846
130 3A1I UNU 0.04035 0.41871 10.3846
131 2I3G NAP 0.005247 0.4077 10.3846
132 2O4J VD4 0.01508 0.4031 10.3846
133 1CFV E3G 0.01515 0.40535 10.6195
134 4F8L GAL 0.01525 0.49175 11.0345
135 2OAT PFM 0.0235 0.41641 11.1538
136 2IYG FMN 0.02719 0.42329 12.0968
137 2PR5 FMN 0.03764 0.40482 12.1212
138 4K30 NLG 0.01205 0.45243 12.5
139 3LTW HLZ 0.03721 0.43664 13.0769
140 1AL8 FMN 0.0001623 0.41485 13.4615
141 1BTN I3P 0.00425 0.52117 14.1509
142 1W7J ADP BEF 0.005283 0.44417 14.5695
143 1JQN DCO 0.00005393 0.46975 14.6154
144 2PP3 LGT 0.035 0.41495 15
145 2Z5Y HRM 0.001605 0.43255 15.7692
146 4RJK PYR 0.001483 0.55556 16.5385
147 2Q37 3AL 0.01337 0.45502 18.232
148 1O9U ADZ 0.006685 0.49653 22.2222
149 1GXU 2HP 0.002099 0.44652 26.3736
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