Receptor
PDB id Resolution Class Description Source Keywords
1O68 2.1 Å EC: 2.1.2.11 CRYSTAL STRUCTURE OF 3-METHYL-2-OXOBUTANOATE HYDROXYMETHYLTR NEISSERIA MENINGITIDIS SEROGROUP B STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KIV A:275;
B:275;
D:275;
E:275;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
116.115 C5 H8 O3 CC(C)...
NA A:274;
B:274;
D:274;
E:274;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O68 2.1 Å EC: 2.1.2.11 CRYSTAL STRUCTURE OF 3-METHYL-2-OXOBUTANOATE HYDROXYMETHYLTR NEISSERIA MENINGITIDIS SEROGROUP B STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1O68 - KIV C5 H8 O3 CC(C)C(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1O68 - KIV C5 H8 O3 CC(C)C(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1O68 - KIV C5 H8 O3 CC(C)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KIV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KIV 1 1
2 ALQ 0.5625 0.642857
3 LAC 0.444444 0.625
4 2OP 0.444444 0.625
5 PYR 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found: 116
This union binding pocket(no: 1) in the query (biounit: 1o68.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YJ0 420 0.01113 0.45601 None
2 4C1K PEP 0.0021 0.43791 None
3 3ZO7 K6H 0.01329 0.40165 None
4 1Q6D GLC GLC 0.0117 0.43941 1.09091
5 5T67 SAH 0.02925 0.42144 1.09091
6 2BNJ XYP XYP AHR FER 0.02806 0.40715 1.09091
7 1ORR NAD 0.04617 0.40379 1.09091
8 1EYE PMM 0.01671 0.4015 1.09091
9 1EBG PAH 0.01773 0.40819 1.45455
10 4QNW FMN 0.004415 0.44274 1.81818
11 5A3T MMK 0.02975 0.41084 1.81818
12 1ND2 MYR 0.01377 0.40788 1.81818
13 4ITU 1HS 0.03724 0.41733 1.85874
14 1X1Z BMP 0.04588 0.41614 1.98413
15 3ATY FMN 0.002182 0.46205 2.18182
16 2Q3R FMN 0.0038 0.44424 2.18182
17 2RDT 2RD 0.01172 0.43373 2.18182
18 2RDT FMN 0.008776 0.43373 2.18182
19 1KTC NGA 0.004734 0.42079 2.18182
20 3HBN UDP 0.01556 0.40923 2.18182
21 2IGA XX3 0.01998 0.4037 2.18182
22 4K38 SAM 0.02448 0.401 2.18182
23 2Q3O FMN 0.005747 0.43858 2.54545
24 2GOU FMN 0.01829 0.42566 2.54545
25 4NNB OAA 0.02319 0.41897 2.54545
26 3HQP OXL 0.01381 0.41724 2.54545
27 3G6K FAD 0.04319 0.40433 2.54545
28 3G6K POP 0.0393 0.40433 2.54545
29 2F2H XTG 0.02817 0.40275 2.54545
30 4Q0L V14 0.03405 0.4027 2.54545
31 2QS8 MET 0.0142 0.40023 2.54545
32 3E5A VX6 0.0316 0.40305 2.61194
33 2TPS TPS 0.002019 0.46712 2.64317
34 1LBF 137 0.03576 0.40288 2.83401
35 4M5P FMN 0.005165 0.43924 2.90909
36 5XDT MB3 0.01766 0.42648 2.90909
37 3EPO MP5 0.007916 0.42608 2.90909
38 2QUN FUD 0.007461 0.42339 2.90909
39 4I3G BGC 0.006808 0.4159 2.90909
40 4NMC 2OP 0.04056 0.40989 2.90909
41 2Y7G AAE 0.01384 0.40986 2.90909
42 3C2O NTM 0.02863 0.40802 2.90909
43 3H55 GLA 0.01291 0.40709 2.90909
44 5UN9 NHT 0.01361 0.40595 2.90909
45 4IP7 FLC 0.006046 0.41563 2.94659
46 1Q6O LG6 0.01654 0.40594 3.24074
47 2R14 FMN 0.007145 0.43986 3.27273
48 2R14 TXD 0.008998 0.43986 3.27273
49 1OYB FMN 0.009705 0.42841 3.27273
50 1OYB HBA 0.01179 0.42841 3.27273
51 1QPR PPC 0.01094 0.42245 3.27273
52 4KCT PYR 0.005254 0.42141 3.27273
53 1AL8 FMN 0.01339 0.42114 3.27273
54 1P4C FMN 0.0252 0.41589 3.27273
55 1FNN ADP 0.02197 0.40342 3.27273
56 4N65 FMN 0.03494 0.4059 3.30189
57 4YRD 3IT 0.002891 0.4258 3.63636
58 4J1Q NDP 0.02401 0.41338 3.63636
59 2NPX FAD 0.03837 0.41218 3.63636
60 5L4L NAP 0.02513 0.40829 3.63636
61 3RI1 3RH 0.02822 0.40703 3.63636
62 3HF3 FMN 0.00513 0.44113 4
63 1VYP FMN 0.00783 0.43632 4
64 2NLI LAC 0.01032 0.43282 4
65 2NLI FMN 0.00869 0.43091 4
66 1AJ0 PH2 0.008173 0.4214 4
67 1AJ0 SAN 0.01062 0.4214 4
68 1VYP TNF 0.01818 0.41568 4
69 1ICP FMN 0.009285 0.43659 4.36364
70 4JIQ 1L5 0.008196 0.43529 4.36364
71 4JIQ FMN 0.008196 0.43529 4.36364
72 1UNB AKG 0.04102 0.40094 4.36364
73 1MH5 HAL 0.01765 0.41635 4.56621
74 1DBT U5P 0.01595 0.41054 4.60251
75 4OYA 1VE 0.03711 0.42937 4.72727
76 3H22 B53 0.004163 0.42903 4.72727
77 3L4U DSK 0.02459 0.40427 4.72727
78 2EWM NAD 0.03356 0.40917 4.81928
79 3KOX Z98 0.01919 0.40817 4.95868
80 2XG9 NOJ GLC 0.02142 0.42408 5.09091
81 1OX5 1PR 0.04149 0.40068 5.09091
82 1MEX RAC 0.001056 0.45836 5.16432
83 1BGQ RDC 0.02298 0.41309 5.33333
84 4B52 RDF 0.003437 0.44033 5.45455
85 2WQP WQP 0.01305 0.42608 5.45455
86 1UJP CIT 0.006002 0.43022 5.53506
87 2G50 PYR 0.005028 0.45335 5.81818
88 2PZI AXX 0.01762 0.40034 5.81818
89 4K2G 1OQ 0.03927 0.40969 5.88235
90 2GJ5 VD3 0.03041 0.41677 6.17284
91 1OFD AKG 0.02615 0.41725 6.18182
92 1OFD FMN 0.03148 0.41495 6.18182
93 1PJS SAH 0.02045 0.40676 6.18182
94 4OKZ 3E9 0.02788 0.40299 6.30137
95 4A3U FMN 0.004628 0.44169 6.42458
96 1KBI PYR 0.007764 0.43797 6.54545
97 1KBJ FMN 0.01022 0.43027 6.54545
98 4H6Q TFB 0.01991 0.41639 6.90909
99 4H6Q FAD 0.01823 0.41562 6.90909
100 3VC3 C6P 0.03312 0.40197 7.26744
101 1S16 ANP 0.01726 0.41538 7.27273
102 1DJN FMN 0.03092 0.40213 7.27273
103 1SJD NPG 0.01258 0.42406 7.63636
104 2GFD RDA 0.009768 0.42827 8
105 5BU3 4W9 0.02371 0.40509 8.15217
106 3E85 BSU 0.04789 0.40776 8.22785
107 2D0V PQQ 0.01494 0.41547 9.09091
108 1WPQ NAD 0.0256 0.40643 9.09091
109 3A6T 8OG 0.017 0.40534 9.30233
110 4N02 FNR 0.0225 0.41082 9.45455
111 5A5W GUO 0.002742 0.47686 10.5455
112 2G37 FAD 0.01219 0.42003 10.5455
113 1TB3 FMN 0.02188 0.41801 10.5455
114 1M5W DXP 0.01133 0.43801 11.9342
115 2UX9 FMN 0.03562 0.41396 23.1884
116 1Z41 FMN 0.02034 0.40139 24.3636
Pocket No.: 2; Query (leader) PDB : 1O68; Ligand: KIV; 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: 1o68.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1O68; Ligand: KIV; 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: 1o68.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1O68; Ligand: KIV; 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: 1o68.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found: 589
This union binding pocket(no: 5) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.00002307 0.5705 None
2 1H8G CHT 0.0001495 0.52796 None
3 1OAA OAA 0.0007555 0.48143 None
4 3KJI ADP 0.0003596 0.45622 None
5 3IO3 ADP 0.0005489 0.45338 None
6 1UO5 PIH 0.004627 0.44979 None
7 1L2T ATP 0.001298 0.44565 None
8 1UO4 PIH 0.004025 0.44291 None
9 2ALG DAO 0.001771 0.43631 None
10 2ALG HP6 0.001771 0.43631 None
11 4W97 UCA 0.002381 0.43616 None
12 2QLX RM4 0.002033 0.43189 None
13 4EKV BTN 0.005566 0.43135 None
14 2F01 BTQ 0.01974 0.43008 None
15 2UZ2 BTN 0.0022 0.42414 None
16 3U5S FAD 0.003713 0.42283 None
17 4WX0 HXD 0.003209 0.41745 None
18 1UW1 ADP 0.002216 0.41684 None
19 3RF4 FUN 0.001658 0.41581 None
20 2F01 BTN 0.04342 0.41351 None
21 2BOI MFU 0.002537 0.40859 None
22 2E1A MSE 0.00153 0.40797 None
23 3VKX T3 0.00869 0.40645 None
24 2Q97 ATP 0.001597 0.44005 0.727273
25 3RO7 TDR 0.007434 0.41943 0.754717
26 2HGZ PBF 0.001873 0.44061 1.09091
27 3ZRR PXG 0.002473 0.42833 1.09091
28 2GDZ NAD 0.0004723 0.47433 1.1236
29 1VR0 3SL 0.0002757 0.44953 1.21457
30 1HDR NAD 0.005091 0.448 1.22951
31 3R35 4CO 0.01551 0.4093 1.3245
32 2R42 FPS 0.0002182 0.47222 1.45455
33 1IUP ALQ 0.001005 0.46002 1.45455
34 3F3E LEU 0.001817 0.45766 1.45455
35 1AUX AGS 0.001288 0.43591 1.45455
36 4HZX G39 0.008579 0.42946 1.45455
37 3ANK NG6 GCD 0.002171 0.41698 1.45455
38 4MZ7 DTP 0.01416 0.40983 1.45455
39 4IHQ ADP 0.001493 0.40921 1.45455
40 3FS8 TDR 0.008863 0.45121 1.4652
41 3FS8 ACO 0.04691 0.41658 1.4652
42 3HY3 10F 0.01234 0.40413 1.47783
43 1NZY BCA 0.01573 0.40529 1.48699
44 2VQ5 LDP 0.01589 0.40555 1.49254
45 2DTX BMA 0.0008614 0.4745 1.51515
46 1XNK XS2 0.005807 0.40693 1.53061
47 2X61 NGA GAL SIA 0.008681 0.44254 1.55039
48 2X61 CH 0.01741 0.41553 1.55039
49 4BCS BTN 0.002311 0.42327 1.6
50 2PNZ UDP 0.003685 0.42965 1.60643
51 1Y13 BIO 0.001698 0.42123 1.65746
52 1ZK7 FAD 0.001902 0.46506 1.81818
53 3BW2 FMN 0.0008248 0.46377 1.81818
54 1Q3Q ANP 0.00368 0.4601 1.81818
55 2H6T IVA VAL VAL STA ALA STA 0.0004987 0.45283 1.81818
56 3UH0 TSB 0.001573 0.44212 1.81818
57 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.009186 0.43652 1.81818
58 1VJO PLP 0.001396 0.4322 1.81818
59 4TSK NDP 0.01938 0.42604 1.81818
60 1I0Z OXM 0.006205 0.42508 1.81818
61 4NE2 ADP 0.009528 0.42101 1.81818
62 4NE2 SH2 0.0107 0.42101 1.81818
63 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01402 0.42074 1.81818
64 2C7G FAD 0.02436 0.42065 1.81818
65 2C7G ODP 0.02433 0.42 1.81818
66 1I2B NAD 0.02734 0.4176 1.81818
67 1I2B UPG 0.02734 0.4176 1.81818
68 1I2B USQ 0.02734 0.4176 1.81818
69 1R89 CTP 0.004645 0.41089 1.81818
70 1TB4 PEJ 0.0142 0.40978 1.81818
71 3ZY6 GFB 0.008381 0.40798 1.81818
72 3CQ5 PMP 0.002218 0.40322 1.81818
73 3IB8 AMP 0.006491 0.40277 1.81818
74 4JRB PGT 0.006278 0.40105 1.81818
75 1UBY DMA 0.009321 0.40054 1.81818
76 1YOE RIB 0.004863 0.40038 1.81818
77 3IOI 1GW 0.02661 0.40007 1.81818
78 1ZUW DGL 0.0001364 0.46157 1.83824
79 3RFV NAI 0.00339 0.4342 1.87266
80 3RFV 15L 0.005429 0.42391 1.87266
81 3R51 MMA 0.001044 0.46194 1.875
82 3P0K FAD 0.01148 0.40389 1.8797
83 3PJU C2E 0.002128 0.44144 2.00803
84 3GEG NAD 0.006588 0.4217 2.02429
85 1C3V NDP 0.01046 0.41685 2.04082
86 1C3V PDC 0.002558 0.40157 2.04082
87 2WCV FUC 0.0009451 0.42845 2.14286
88 2V6O FAD 0.002875 0.47459 2.18182
89 3WBF API 0.0009968 0.46434 2.18182
90 1OTH PAO 0.0009309 0.4643 2.18182
91 2GSD NAD 0.00125 0.46254 2.18182
92 1FDJ 2FP 0.000245 0.45763 2.18182
93 3A2Q ACA ACA 0.0004419 0.45499 2.18182
94 1ECC PCP 0.0007891 0.45481 2.18182
95 1O9U ADZ 0.001573 0.45346 2.18182
96 4W6Z ETF 0.001645 0.45254 2.18182
97 1GJW GLC 0.0007034 0.45204 2.18182
98 3ZPG 5GP 0.001687 0.45202 2.18182
99 4GLJ RHB 0.00199 0.4498 2.18182
100 4IVG ANP 0.00494 0.44944 2.18182
101 2ZJ3 G6P 0.00082 0.44829 2.18182
102 3W54 RNB 0.0005236 0.44705 2.18182
103 3WBF NAP 0.001975 0.44581 2.18182
104 1WVG CXY 0.001443 0.4419 2.18182
105 1DJ9 KAM 0.001848 0.44085 2.18182
106 2YPO PHE 0.003054 0.43897 2.18182
107 3HZS M0E 0.00652 0.43682 2.18182
108 1LC8 33P 0.003064 0.43462 2.18182
109 1WVG APR 0.002831 0.43456 2.18182
110 2AEB ABH 0.005295 0.4329 2.18182
111 2OYS FMN 0.002546 0.4297 2.18182
112 3PFG TLO 0.009877 0.42766 2.18182
113 3PFG SAM 0.009877 0.42766 2.18182
114 1T57 FMN 0.003291 0.42681 2.18182
115 4KCF AKM 0.003722 0.42626 2.18182
116 2R40 20E 0.004891 0.42283 2.18182
117 4KCF FMN 0.002551 0.42152 2.18182
118 2XK9 XK9 0.01052 0.42023 2.18182
119 3BAZ NAP 0.006113 0.42022 2.18182
120 3GJB AKG 0.0007776 0.41843 2.18182
121 4NTD FAD 0.01498 0.41752 2.18182
122 2R40 EPH 0.0112 0.41492 2.18182
123 1ZGA HMK 0.002899 0.41454 2.18182
124 1OWB NAD 0.01201 0.41359 2.18182
125 1FDJ 13P 0.001496 0.40942 2.18182
126 1ZGA SAH 0.004587 0.40888 2.18182
127 1XVV CCQ 0.02613 0.40749 2.18182
128 1NNS ASP 0.001274 0.40125 2.18182
129 1JA9 NDP 0.007598 0.45182 2.18978
130 1JA9 PYQ 0.004588 0.42991 2.18978
131 2Q37 3AL 0.0008101 0.43453 2.20994
132 1U7Z PMT 0.003538 0.44004 2.21239
133 1EYQ NAR 0.001966 0.40449 2.25225
134 3OIG NAD 0.004418 0.45781 2.25564
135 3OIG IMJ 0.01179 0.41691 2.25564
136 4B16 NAG 0.01535 0.41382 2.25564
137 1A8R GTP 0.001129 0.44251 2.26244
138 4B4D FAD 0.002886 0.42741 2.29008
139 1WVC CTP 0.0103 0.452 2.3166
140 3SHR CMP 0.0007328 0.41152 2.34114
141 4TMK T5A 0.004636 0.43363 2.34742
142 3MB5 SAM 0.02125 0.41992 2.35294
143 1J5P NAD 0.00531 0.42576 2.37154
144 1PR9 NAP 0.001186 0.461 2.45902
145 3D3W NAP 0.002288 0.4458 2.45902
146 1H9G COA MYR 0.001109 0.45361 2.46914
147 1TIW TFB 0.00338 0.44667 2.49169
148 1TIW FAD 0.00338 0.44667 2.49169
149 3UIE ANP 0.001289 0.426 2.5
150 3UIE ADX 0.004307 0.40999 2.5
151 2DKH 3HB 0.0006388 0.48036 2.54545
152 2IXB NAD 0.001224 0.45771 2.54545
153 3OND NAD 0.003122 0.45697 2.54545
154 3OND ADN 0.003122 0.45697 2.54545
155 3B1F NAD 0.0007135 0.45479 2.54545
156 3DAG FEG 0.001149 0.45134 2.54545
157 2IXB A2G 0.003175 0.44789 2.54545
158 4R33 SAH 0.003738 0.43899 2.54545
159 4R33 TRP 0.003738 0.43899 2.54545
160 1TDF NAP 0.01557 0.43794 2.54545
161 1TDF FAD 0.007727 0.43794 2.54545
162 3TO7 COA 0.005798 0.43613 2.54545
163 4G1V FAD 0.003355 0.43439 2.54545
164 2BLE 5GP 0.01439 0.4335 2.54545
165 1KOL NAD 0.006333 0.43228 2.54545
166 4B8V NDG NAG NAG NAG 0.003884 0.43018 2.54545
167 3L24 GOA 0.006394 0.42445 2.54545
168 4BMO FMN 0.005229 0.42313 2.54545
169 1GVF PGH 0.00116 0.42186 2.54545
170 1SOW NAD 0.009317 0.42026 2.54545
171 1RYI GOA 0.01732 0.42012 2.54545
172 2PUL ACP 0.002853 0.41953 2.54545
173 4M51 BEZ 0.005641 0.41942 2.54545
174 3L6R MLI 0.004204 0.4181 2.54545
175 1OFH ADP 0.006852 0.4181 2.54545
176 2DWU DGL 0.0008846 0.41585 2.54545
177 2DKH FAD 0.01266 0.41553 2.54545
178 2BO4 FLC 0.005836 0.41186 2.54545
179 2NT8 ATP 0.01204 0.41165 2.54545
180 1POC GEL 0.005422 0.41023 2.54545
181 4EPM AMP 0.01201 0.40464 2.54545
182 3IHB GLU 0.0009404 0.40458 2.54545
183 1Y42 TYR 0.003252 0.40438 2.54545
184 1E2S CSN 0.006385 0.40306 2.54545
185 1RKD ADP 0.02594 0.40056 2.54545
186 1RKD RIB 0.02594 0.40056 2.54545
187 2NX1 PEP 0.0002107 0.48635 2.62172
188 2NX1 RP5 0.0002187 0.48565 2.62172
189 2EB5 OXL 0.005748 0.40586 2.62172
190 2YC5 6BC 0.007118 0.42891 2.63158
191 1R18 SAH 0.01015 0.40615 2.64317
192 1O0D 163 0.004709 0.41275 2.7027
193 1C3M MAN MAN 0.002954 0.41663 2.72109
194 3ICC NAP 0.006998 0.42575 2.7451
195 3QQA TCH 0.009087 0.40818 2.77778
196 1T26 NAI 0.01673 0.44533 2.79503
197 1T26 GBD 0.01673 0.44533 2.79503
198 4K5S FAD 0.002371 0.44772 2.79851
199 4K5S PM0 0.007246 0.4409 2.79851
200 1SC3 MLI 0.001838 0.44162 2.80899
201 1KDK DHT 0.001462 0.44167 2.82486
202 1EDO NAP 0.01991 0.43164 2.86885
203 1QY1 PRZ 0.0006238 0.45529 2.87356
204 4IS0 1R4 0.007939 0.41066 2.90456
205 4IS0 GDS 0.005753 0.40917 2.90456
206 2ZWS PLM 0.0002931 0.51264 2.90909
207 4KQI NIO 0.0007437 0.46718 2.90909
208 4KQI RBZ 0.0007437 0.46718 2.90909
209 3Q9T FAY 0.001806 0.45891 2.90909
210 2PWY SAH 0.0007167 0.45658 2.90909
211 9LDB NAD 0.001334 0.45607 2.90909
212 1QW9 KHP 0.000938 0.4551 2.90909
213 3WE0 FAD 0.003296 0.45223 2.90909
214 3CQD ATP 0.002587 0.45079 2.90909
215 1YHM AHD 0.000347 0.44942 2.90909
216 2J8Z NAP 0.001634 0.44939 2.90909
217 4PLG OXM 0.002858 0.44885 2.90909
218 4PLG NAI 0.002858 0.44885 2.90909
219 4M2K PLP 0.0004361 0.44169 2.90909
220 1Q0H NDP 0.009332 0.43499 2.90909
221 3FSY SCA 0.006119 0.43349 2.90909
222 4M5P MLA 0.006679 0.43192 2.90909
223 4M5P 23W 0.003533 0.42868 2.90909
224 4RJK PYR 0.004307 0.42476 2.90909
225 2HXT EHM 0.001971 0.42374 2.90909
226 1LDM NAD 0.02946 0.4211 2.90909
227 4O1M NAD 0.009822 0.4168 2.90909
228 2H6B 3C4 0.01164 0.40821 2.90909
229 9LDT OXM 0.02052 0.40747 2.90909
230 1Q0H FOM 0.03756 0.40529 2.90909
231 3C1O NAP 0.01596 0.40086 2.90909
232 3WO0 ALA 0.003189 0.4456 2.97872
233 3WO0 ADP 0.003189 0.4456 2.97872
234 3KYF 5GP 5GP 0.003749 0.40753 3.0303
235 1XX4 BAM 0.004376 0.43231 3.06513
236 3GWT 066 0.01464 0.41041 3.11615
237 3H86 AP5 0.01006 0.43223 3.125
238 2PYU IMP 0.001444 0.41058 3.19635
239 1V7R CIT 0.0005925 0.48441 3.22581
240 1UZN NAP 0.001175 0.43526 3.23887
241 1TOI HCI 0.0001519 0.49417 3.27273
242 1UKW FAD 0.000887 0.47161 3.27273
243 1MDZ PLP 0.0007183 0.46925 3.27273
244 1GEX PLP HSA 0.0004457 0.46893 3.27273
245 1OLS TDP 0.002561 0.45819 3.27273
246 1P9B GDP 0.0004006 0.45674 3.27273
247 1P9B IMO 0.0008646 0.4549 3.27273
248 2H8Z 8CM 0.001262 0.45426 3.27273
249 2H8Z FMN 0.001262 0.45426 3.27273
250 1YBH P22 0.0002895 0.4518 3.27273
251 1C0I FAD 0.007169 0.43858 3.27273
252 1C0I BE2 0.007169 0.43858 3.27273
253 2CSN CKI 0.00233 0.43818 3.27273
254 1YBH FAD 0.006075 0.43624 3.27273
255 2YBQ UP2 0.00562 0.43459 3.27273
256 4JWX 1N4 0.0005798 0.43361 3.27273
257 1MDZ DCS 0.005289 0.43233 3.27273
258 1P9B HDA 0.0005188 0.42806 3.27273
259 2YBQ SAH 0.002536 0.42787 3.27273
260 2QJN KDG 0.001821 0.42514 3.27273
261 4GYW UDP 0.007739 0.42382 3.27273
262 1GAD NAD 0.006383 0.42088 3.27273
263 3IL6 B83 0.003793 0.42059 3.27273
264 3PVT 3HC 0.01245 0.42016 3.27273
265 2J7T 274 0.007809 0.41985 3.27273
266 1Z45 GAL 0.001324 0.41962 3.27273
267 2EFJ SAH 0.003306 0.41908 3.27273
268 1BDB NAD 0.03841 0.41883 3.27273
269 2VJJ RAM GLC GAL NAG NAG GLC 0.02733 0.41442 3.27273
270 1F8F NAD 0.03195 0.41439 3.27273
271 1Z45 UPG 0.005091 0.41335 3.27273
272 4RNX FMN 0.00593 0.41156 3.27273
273 2CJH AKG 0.004894 0.40996 3.27273
274 1KC7 PPR 0.0006838 0.40751 3.27273
275 4QN7 G39 0.02158 0.40736 3.27273
276 1DSS NAD 0.01334 0.40566 3.27273
277 1UMP SQA 0.01417 0.40452 3.27273
278 1WL4 COA 0.03752 0.40372 3.27273
279 1Z45 NAD 0.02349 0.40016 3.27273
280 3PY5 AMP 0.002349 0.42298 3.28467
281 3I6B KDO 0.001877 0.4137 3.33333
282 2OZE AGS 0.001347 0.43726 3.3557
283 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0008033 0.45262 3.40426
284 1B55 4IP 0.004304 0.41001 3.5503
285 1O6B ADP 0.04276 0.40188 3.5503
286 3MBG FAD 0.00629 0.41969 3.59712
287 1B9I PXG 0.001583 0.442 3.60825
288 1V6A TRE 0.0001444 0.46482 3.61446
289 4KXV TDP DX5 0.0008882 0.47276 3.63636
290 1PEA ACM 0.0008609 0.45662 3.63636
291 4HA6 FAD 0.003026 0.45392 3.63636
292 3FPZ AHZ 0.01301 0.44498 3.63636
293 1EXB NDP 0.01592 0.43747 3.63636
294 3O03 NAP 0.01293 0.43436 3.63636
295 1RBO CAP 0.04544 0.43193 3.63636
296 2CKM AA7 0.01034 0.4277 3.63636
297 3K5X P8D 0.001171 0.42765 3.63636
298 1P72 ADP 0.006728 0.42526 3.63636
299 3FXU TSU 0.00457 0.42409 3.63636
300 1DXY COI 0.007008 0.42255 3.63636
301 3LTW HLZ 0.002501 0.42106 3.63636
302 1LTH NAD 0.02296 0.41979 3.63636
303 1V35 NAI 0.02081 0.41383 3.63636
304 2ZJ5 ADP 0.002857 0.41238 3.63636
305 1NML CIT 0.002087 0.4119 3.63636
306 4A3R CIT 0.01711 0.41189 3.63636
307 2P41 SAH 0.007924 0.40538 3.63636
308 2ZYF AKG 0.001814 0.40536 3.63636
309 2XCG XCG 0.01838 0.40485 3.63636
310 1U5R ATP 0.0003659 0.40179 3.63636
311 2XDQ MGX 0.01936 0.40144 3.63636
312 1QO0 BMD 0.007418 0.40119 3.63636
313 1T8U UAP SGN IDS SGN 0.01161 0.42254 3.67647
314 2FOI JPA 0.001278 0.40366 3.71747
315 2BNE U5P 0.01225 0.41674 3.73444
316 3GM5 CIT 0.002655 0.41997 3.77358
317 4NVP 7CH 0.006088 0.43193 3.82775
318 1P9P SAH 0.01132 0.40415 3.83142
319 2F5T MAL 0.008337 0.40447 3.86266
320 1NF8 ISC 0.001581 0.42512 3.86473
321 3E6J DR2 0.004921 0.43409 3.93013
322 4AIG FLX 0.003261 0.40994 3.9801
323 4NES UDP 0.0001566 0.47349 4
324 2YVF FAD 0.002847 0.46756 4
325 2YVF NAD 0.002947 0.46756 4
326 3P7I P7I 0.0001184 0.46053 4
327 4DQ2 BTX 0.002206 0.44373 4
328 1EP2 ORO 0.00399 0.43894 4
329 1EP2 FMN 0.002634 0.43894 4
330 2V9M CIT 0.001163 0.42777 4
331 3LM9 ADP 0.001684 0.42402 4
332 3FKQ ATP 0.002716 0.42258 4
333 1ZFJ IMP 0.01512 0.42194 4
334 1OIK C26 0.003798 0.41446 4
335 2WE5 ADP 0.003446 0.41392 4
336 1JIL 485 0.00596 0.4124 4
337 4Q3R XA2 0.01249 0.40689 4
338 4NES UD1 0.00748 0.40642 4
339 3A8U PLP 0.002454 0.40229 4
340 4G28 0W8 0.001405 0.40929 4.02685
341 4NPT 017 0.00481 0.40322 4.0404
342 2C4I BTN 0.00585 0.40679 4.05904
343 4LTN FMN 0.03154 0.40722 4.06091
344 2BZ1 TAU 0.005049 0.44779 4.08163
345 4INB 1F6 0.0003142 0.46563 4.10959
346 1V2X SAM 0.002293 0.42969 4.12371
347 2HMT NAI 0.001496 0.47172 4.16667
348 4LIT AKG 0.001248 0.42694 4.1769
349 3ZLM ANP 0.004131 0.41711 4.25532
350 1Z34 2FD 0.03441 0.41079 4.25532
351 4F2Q QUS 0.002802 0.41756 4.26357
352 5YAS FAC 0.0005631 0.44031 4.28016
353 3BHO B4P 0.009977 0.4232 4.32692
354 1DLJ NAI 0.004849 0.44981 4.36364
355 1DLJ UGA 0.004849 0.44981 4.36364
356 3WKX FUB 0.0003045 0.43218 4.36364
357 1QS0 TDP 0.002517 0.42801 4.36364
358 1LL2 UPG 0.003073 0.42627 4.36364
359 1FA2 DOM 0.005902 0.42515 4.36364
360 1VJT NAD 0.00317 0.42383 4.36364
361 1Q11 TYE 0.001085 0.423 4.36364
362 1NW5 SAM 0.005657 0.41335 4.36364
363 3SQG COM 0.02042 0.40758 4.36364
364 3DDN HPV 0.002178 0.40336 4.36364
365 3FED BIX 0.008366 0.40247 4.36364
366 8CAT NDP 0.01234 0.40091 4.36364
367 3F81 STT 0.0004083 0.48133 4.37158
368 1UJ5 5RP 0.0004182 0.4483 4.40529
369 1UWZ THU 0.001133 0.43589 4.41176
370 1XE7 GUN 0.004567 0.43142 4.4335
371 1UAY ADN 0.0006058 0.44449 4.54545
372 3SCH TB6 0.002346 0.42223 4.54545
373 1M5B BN1 0.0047 0.4551 4.56274
374 4LSJ LSJ 0.0005647 0.4571 4.65116
375 2DVZ GLU 0.0001429 0.46399 4.72727
376 3LZW NAP 0.004584 0.45634 4.72727
377 3LZW FAD 0.00206 0.45634 4.72727
378 4LNL 2BK 0.0004773 0.45121 4.72727
379 4LNL 2BO 0.0004773 0.45121 4.72727
380 4LNL PLG 0.0004502 0.4497 4.72727
381 1I7L ATP 0.001249 0.44636 4.72727
382 2V7T SAH 0.01693 0.44327 4.72727
383 1R27 MGD 0.003817 0.44211 4.72727
384 3SSO SAH 0.002067 0.43349 4.72727
385 1ITZ TPP 0.004241 0.42385 4.72727
386 1YS4 NAP 0.007102 0.41271 4.72727
387 1FP1 SAH 0.004989 0.40962 4.72727
388 4P05 4NS 0.009388 0.40758 4.72727
389 1FP1 HCC 0.008339 0.40447 4.72727
390 2OI2 DP6 0.005667 0.40284 4.72727
391 3A1I UNU 0.001267 0.40244 4.72727
392 1V2G OCA 0.003092 0.41342 4.73684
393 1YGC 905 0.007099 0.40923 4.7619
394 4OJ8 AKG 0.0007746 0.44932 4.77816
395 4OJ8 2TQ 0.006922 0.41318 4.77816
396 1MVN FMN 0.002503 0.45254 4.78469
397 1MVN PCO 0.008437 0.44277 4.78469
398 4EXO PYR 0.003847 0.427 4.79452
399 2VBQ BSJ 0.001408 0.459 4.84848
400 1YFZ IMP 0.0005698 0.42588 4.87805
401 3QP6 HL6 0.002011 0.4234 4.90566
402 1Y7P RIP 0.002409 0.43627 4.93274
403 1QF5 RPL 0.006226 0.44312 5.09091
404 1QF5 GDP 0.006226 0.44312 5.09091
405 2A0W DIH 0.003222 0.44246 5.09091
406 3AHC TPP 0.002848 0.44029 5.09091
407 3BLI ACO 0.002541 0.43154 5.09091
408 2NCD ADP 0.001182 0.42789 5.09091
409 4AF5 CIT 0.001743 0.42766 5.09091
410 5T0A A3P 0.00147 0.42508 5.09091
411 3W2W ATP 0.00171 0.42376 5.09091
412 2YK7 CSF 0.003345 0.42286 5.09091
413 4ARF IP8 GLY PRO ALA 0.00366 0.41512 5.09091
414 1NX4 AKG 0.002744 0.40046 5.12821
415 3CBG SAH 0.001676 0.4312 5.17241
416 2ZTS ADP 0.007693 0.40592 5.17928
417 2O66 FLC 0.001433 0.4245 5.18518
418 3OZG SSI 0.00207 0.42522 5.2
419 1IM8 SAI 0.001208 0.44327 5.32787
420 1ULE GLA GAL NAG 0.01101 0.40615 5.33333
421 4JCA CIT 0.002874 0.45021 5.38922
422 4C0X FMN 0.005247 0.42455 5.41872
423 4C0X AQN 0.006983 0.42455 5.41872
424 1GSA ADP 0.002568 0.46089 5.45455
425 3UR0 SVR 0.002892 0.45578 5.45455
426 2VDJ HSE 0.0009964 0.45373 5.45455
427 3JDW ORN 0.0007466 0.44329 5.45455
428 4DVE BTN 0.0008253 0.4337 5.45455
429 2YIV NBN 0.002205 0.43035 5.45455
430 3GE7 AFQ 0.007541 0.42551 5.45455
431 4UBP HAE 0.003198 0.42462 5.45455
432 1I9G SAM 0.01478 0.4241 5.45455
433 4BI7 PGA 0.001271 0.42337 5.45455
434 4IOK ADP 0.00654 0.42043 5.45455
435 3GTD MLI 0.002721 0.41323 5.45455
436 2IZ1 ATR 0.004354 0.41094 5.45455
437 3P0F BAU 0.004717 0.41061 5.45455
438 1GSA GSH 0.02998 0.40655 5.45455
439 4OE4 NAD 0.02381 0.4005 5.45455
440 1A69 FMB 0.01108 0.44022 5.46218
441 3WCS MAN NAG GAL 0.003567 0.40839 5.51181
442 3RGG AIR 0.002635 0.41363 5.66038
443 3DCM SAM 0.00187 0.43338 5.72917
444 1KHT AMP 0.001948 0.41606 5.72917
445 4USQ FAD 0.001615 0.45635 5.81818
446 1B8U OAA 0.003026 0.44179 5.81818
447 1B8U NAD 0.00131 0.44179 5.81818
448 2HGS ADP 0.00247 0.43207 5.81818
449 3NNF AKG 0.001502 0.43037 5.81818
450 3ZS7 ATP 0.003092 0.42795 5.81818
451 1X54 4AD 0.003958 0.42675 5.81818
452 1CKN GTP 0.001091 0.42599 5.81818
453 2HGS GSH 0.002134 0.42235 5.81818
454 2C31 TZD 0.03881 0.41913 5.81818
455 2C31 ADP 0.03787 0.41913 5.81818
456 1CKM GTP 0.0007202 0.41884 5.81818
457 1X8X TYR 0.003815 0.40723 5.81818
458 3MAG 3MA 0.001742 0.46105 5.86319
459 1L1Q 9DA 0.003913 0.42002 5.91398
460 2NS1 ADP 0.01536 0.41236 6.03448
461 3MCT SAH 0.0003717 0.4647 6.06061
462 1TUV VK3 0.005146 0.42895 6.14035
463 3TXO 07U 0.0001985 0.46409 6.18182
464 3NKS FAD 0.003531 0.44473 6.18182
465 1D3V ABH 0.004215 0.42715 6.18182
466 3N5O GSH 0.003581 0.41969 6.18182
467 2AMV BIN 0.02471 0.41685 6.18182
468 3NKS ACJ 0.003997 0.41355 6.18182
469 2Q8H TF4 0.01402 0.40816 6.18182
470 2C5S AMP 0.002091 0.4032 6.18182
471 3SVL FMN 0.005249 0.41081 6.21762
472 1Y7I SAL 0.003343 0.40391 6.34328
473 3K56 IS3 0.002548 0.41923 6.39098
474 2XVE FAD 0.01954 0.42846 6.54545
475 4IAE 1DX 0.0256 0.41575 6.54545
476 1CL2 PPG 0.006168 0.41178 6.54545
477 4I71 AGV 0.005935 0.41059 6.54545
478 3CEV ARG 0.002209 0.40265 6.54545
479 2FWP ICR 0.006346 0.43113 6.55738
480 4C25 13P 0.003492 0.43506 6.60377
481 1FMB HYB 0.001152 0.43064 6.73077
482 4N7C AEF 0.00639 0.41014 6.81818
483 1OGD RIP 0.001465 0.41791 6.87023
484 1G6O ADP 0.000631 0.46247 6.90909
485 2I4O ATP 0.0001877 0.45929 6.90909
486 1E7S NAP 0.002162 0.44821 6.90909
487 1F74 NAY 0.0007108 0.44416 6.90909
488 1H2B NAJ 0.003509 0.4402 6.90909
489 3CKJ CIT 0.004041 0.42944 6.90909
490 4C0C WVH 0.02228 0.41504 6.90909
491 1QCA FUA 0.0448 0.41284 6.90909
492 2V5E SCR 0.01191 0.41934 6.93069
493 3M0J OAF 0.0026 0.44337 7.27273
494 1PFK ADP 0.0008501 0.44099 7.27273
495 2B4Q NAP 0.00307 0.43888 7.27273
496 1WUR 8DG 0.004115 0.42272 7.27273
497 3LST SAH 0.003222 0.4151 7.27273
498 3K3K A8S 0.002271 0.42987 7.58294
499 3S9K CIT 0.003588 0.45162 7.62712
500 3U4C NDP 0.0002611 0.48396 7.63636
501 2TPL HPP 0.005945 0.42074 7.63636
502 1R37 NAD 0.0111 0.4192 7.63636
503 1TUF AZ1 0.007737 0.41433 7.63636
504 1R37 ETX 0.001614 0.4003 7.63636
505 1UXG NAD 0.002971 0.44919 7.76699
506 1UXG FUM 0.002971 0.44919 7.76699
507 2XBP ATP 0.002636 0.45901 7.9646
508 6FIV 3TL 0.000363 0.45349 7.9646
509 3V1U NAD 0.006053 0.42041 8
510 1LVL FAD 0.01677 0.41987 8
511 2R00 OEG 0.0002682 0.41847 8
512 1LVL NAD 0.005316 0.41629 8
513 2NZU BG6 0.003678 0.40229 8
514 4K30 NLG 0.002572 0.40836 8.125
515 5FIT AP2 0.002341 0.41828 8.16327
516 2Y7P SAL 0.001029 0.42389 8.25688
517 1I1Q TRP 0.001729 0.41811 8.33333
518 1V1A KDG 0.0008227 0.44925 8.36364
519 1FIQ FAD 0.003107 0.44376 8.36364
520 1VDC FAD 0.008798 0.43617 8.36364
521 1FIQ SAL 0.004429 0.4345 8.36364
522 1FIQ MTE 0.003866 0.4345 8.36364
523 3M6W SAM 0.001897 0.42677 8.36364
524 1PX8 XYP 0.002248 0.41659 8.36364
525 1V1A ADP 0.0125 0.41094 8.36364
526 1XHL NDP 0.0005338 0.47492 8.41751
527 1XHL TNE 0.0005137 0.41736 8.41751
528 1Y75 NAG 0.0006674 0.42208 8.47458
529 4UOH ADP 0.003605 0.40551 8.60927
530 3BS8 PMP 0.003638 0.41058 8.72727
531 2B82 ADN 0.01294 0.40004 9.00474
532 2F2U M77 0.0005882 0.41363 9.09091
533 1ECM TSA 0.00116 0.41342 9.17431
534 1T0S BML 0.001549 0.445 9.30233
535 3TA2 AKG 0.009049 0.41706 9.32203
536 3TA2 ATP 0.02506 0.40287 9.32203
537 3VPD ANP 0.002634 0.42907 9.45455
538 3HU3 AGS 0.02977 0.41968 9.45455
539 3TKA CTN 0.008339 0.41538 9.45455
540 3P3N AKG 0.003681 0.414 9.45455
541 4B7E OGA 0.002543 0.4024 9.45455
542 3DDC GNP 0.001232 0.45004 9.63855
543 1NVU GTP 0.02311 0.42106 9.63855
544 4F8L GAL 0.0005688 0.49754 9.65517
545 2DUA OXL 0.002089 0.43138 9.81818
546 1PL6 572 0.01948 0.40721 9.81818
547 1PL6 NAD 0.009916 0.40658 9.81818
548 3QO8 SSA 0.003066 0.41826 10.1818
549 1JUV NDP 0.006322 0.42106 10.3627
550 1VQ2 DDN 0.0004312 0.45542 10.5455
551 1H16 PYR 0.003091 0.43133 10.5455
552 2DTJ THR 0.003545 0.4085 10.6742
553 1HEX NAD 0.002566 0.43943 10.7246
554 2D37 NAD 0.004507 0.42884 10.7955
555 2D37 FMN 0.004172 0.42884 10.7955
556 1RYD NDP 0.004934 0.43822 10.9091
557 3CXO 1N5 0.00582 0.42803 10.9091
558 3CXO 3LR 0.009918 0.41533 10.9091
559 1SS4 CIT 0.000795 0.4865 11.1111
560 1SS4 GSH 0.009389 0.43731 11.1111
561 2P1O NLA 0.006716 0.42402 11.25
562 2P1O IHP 0.006716 0.42402 11.25
563 2P1M IHP 0.01411 0.40461 11.25
564 3SJ0 DXC 0.002963 0.42475 11.2676
565 2BGM MAX 0.004687 0.42362 11.2727
566 2BGM NAJ 0.031 0.41633 11.2727
567 1TU3 GNP 0.003493 0.43064 11.3924
568 2HVW DDN 0.00145 0.42914 11.413
569 2HVW DCP 0.003633 0.41299 11.413
570 1SSQ CYS 0.03526 0.40697 11.6105
571 1D6H COA 0.003848 0.44916 11.6364
572 1OGZ EQU 0.0001317 0.46844 12
573 2HW1 ANP 0.001595 0.43821 12
574 1YAG ATP 0.002207 0.43589 12
575 4AMV F6R 0.004674 0.41078 12
576 3PNL ADP 0.0005155 0.46074 12.3636
577 1BTN I3P 0.004553 0.44454 13.2075
578 1EZV SMA 0.005478 0.42375 14.5455
579 2PFC PLM 0.004937 0.40525 14.7541
580 1VBH PEP 0.0001944 0.44438 15.2727
581 2PT9 2MH 0.002483 0.44808 15.8879
582 2PT9 S4M 0.006702 0.41851 15.8879
583 3L1N PLM 0.008556 0.404 15.9794
584 2XRH NIO 0.0005911 0.40863 18
585 2GJ3 FAD 0.004515 0.43222 20
586 1Z44 NPO 0.0366 0.40234 24.3636
587 4GQB 0XU 0.04442 0.40623 27.2727
588 3NCQ ATP 0.004919 0.4177 29.4118
589 4CCO OGA 0.002313 0.41016 30
Pocket No.: 6; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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