-->
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+]
View in 3D viewer
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 with APoc: 157
This union binding pocket(no: 1) in the query (biounit: 1o68.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2YJ0 420 None
2 4C1K PEP None
3 3EW2 BTN None
4 3ZO7 K6H None
5 1Q6D GLC GLC 1.09091
6 3KRU FMN 1.09091
7 5T67 SAH 1.09091
8 1ORR NAD 1.09091
9 1EYE PMM 1.09091
10 1IGW PYR 1.45455
11 4QNW FMN 1.81818
12 5A3T MMK 1.81818
13 5E9G GLV 1.81818
14 5WBF LAC 1.85185
15 4ITU 1HS 1.85874
16 1X1Z BMP 1.98413
17 3ATY FMN 2.18182
18 2Q3R FMN 2.18182
19 2RDT FMN 2.18182
20 2RDT 2RD 2.18182
21 1KTC NGA 2.18182
22 5E2N V14 2.18182
23 6DAM PQQ 2.18182
24 3HBN UDP 2.18182
25 2IGA XX3 2.18182
26 4K38 SAM 2.18182
27 3NUG NAD 2.42915
28 2Q3O FMN 2.54545
29 2GOU FMN 2.54545
30 3HQP OXL 2.54545
31 3G6K POP 2.54545
32 3G6K FAD 2.54545
33 2QS8 MET 2.54545
34 5WQP NCA 2.5641
35 3E5A VX6 2.61194
36 2TPS TPS 2.64317
37 4M5P FMN 2.90909
38 1VEM GLC GLC 2.90909
39 5XDT MB3 2.90909
40 3EPO MP5 2.90909
41 2QUN FUD 2.90909
42 4NMC 2OP 2.90909
43 3C2O NTM 2.90909
44 3UXL CFI 2.90909
45 3H55 GLA 2.90909
46 5UN9 NHT 2.90909
47 5Y72 DST 2.90909
48 4I3G BGC 2.90909
49 4IP7 FLC 2.94659
50 4RYV ZEA 3.22581
51 1Q6O LG6 3.24074
52 2R14 TXD 3.27273
53 2R14 FMN 3.27273
54 5WS9 ATP 3.27273
55 1OYB HBA 3.27273
56 1OYB FMN 3.27273
57 1QPR PPC 3.27273
58 4KCT PYR 3.27273
59 1AL8 FMN 3.27273
60 1P4C FMN 3.27273
61 2H8Z FMN 3.27273
62 2H8Z 8CM 3.27273
63 1FNN ADP 3.27273
64 4ZCW 4NG 3.27273
65 6BFG FMN 3.27273
66 4N65 FMN 3.30189
67 5NNA BZM 3.40909
68 5OCS FMN 3.63636
69 4YRD 3IT 3.63636
70 1B4N GUA 3.63636
71 4J1Q NDP 3.63636
72 5USZ SKE 3.63636
73 2NPX FAD 3.63636
74 4A3R CIT 3.63636
75 5L4L NAP 3.63636
76 3RI1 3RH 3.63636
77 4TMC HBA 4
78 4TMC FMN 4
79 3HF3 FMN 4
80 1VYP FMN 4
81 2NLI LAC 4
82 2NLI FMN 4
83 1AJ0 SAN 4
84 1AJ0 PH2 4
85 1VYP TNF 4
86 6DVH FMN 4
87 1ICP FMN 4.36364
88 4JIQ 1L5 4.36364
89 4JIQ FMN 4.36364
90 1UNB AKG 4.36364
91 1MH5 HAL 4.56621
92 1DBT U5P 4.60251
93 5TBS ADE 4.72727
94 4OYA 1VE 4.72727
95 3H22 B53 4.72727
96 1KKR 2AS 4.72727
97 3L4U DSK 4.72727
98 2EWM NAD 4.81928
99 1Y0L HAN 4.86726
100 4WGF HX2 4.87805
101 3KOX Z98 4.95868
102 2XG9 NOJ GLC 5.09091
103 4O4K 2PK 5.09091
104 3B8I OXL 5.09091
105 1OX5 1PR 5.09091
106 5LGD PLM 5.09091
107 1QXA GLY GLY GLY 5.10638
108 1MEX RAC 5.16432
109 1BGQ RDC 5.33333
110 4B52 RDF 5.45455
111 2WQP WQP 5.45455
112 1UJP CIT 5.53506
113 2G50 PYR 5.81818
114 2PZI AXX 5.81818
115 4K2G 1OQ 5.88235
116 1OFD FMN 6.18182
117 4XDY NAI 6.18182
118 1PJS SAH 6.18182
119 4OKZ 3E9 6.30137
120 5NBW 8SK 6.30631
121 4A3U FMN 6.42458
122 3CYQ AMU 6.52174
123 1KBI PYR 6.54545
124 1KBI FMN 6.54545
125 1KBJ FMN 6.54545
126 6C4A PYR 6.54545
127 4H6Q TFB 6.90909
128 4H6Q FAD 6.90909
129 3VC3 C6P 7.26744
130 1S16 ANP 7.27273
131 1DJN FMN 7.27273
132 4CCW VKC 7.63636
133 1SJD NPG 7.63636
134 2GFD RDA 8
135 4RF2 NAP 8.08823
136 5BU3 4W9 8.15217
137 2YFO GLA 8.36364
138 2YFO GAL 8.36364
139 2XN2 GLA 8.36364
140 2D0V PQQ 9.09091
141 1WPQ NAD 9.09091
142 3A6T 8OG 9.30233
143 4N02 FNR 9.45455
144 5XM3 PQQ 10
145 5A5W GUO 10.5455
146 1TB3 FMN 10.5455
147 2G37 FAD 10.5455
148 4AMW 5DI 10.5455
149 1M5W DXP 11.9342
150 4R3U 3KK 12.0253
151 4R3U 3HC 12.0253
152 4BJ8 BTN 12.6984
153 5ABH YWN 13.4545
154 5ABF XRJ 13.4545
155 4N9I PCG 13.8095
156 2UX9 FMN 23.1884
157 1Z41 FMN 24.3636
Pocket No.: 2; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 1o68.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5FBN 5WF None
2 3KA2 2NC None
3 2HKA C3S None
4 1Z0J GTP 1.17647
5 2QV6 GTP 1.49254
6 2H21 SAM 2.18182
7 4Z1D PEP 2.18182
8 4EWH T77 2.18182
9 4K39 SAM 2.18182
10 1XG5 NAP 2.18182
11 1S8G DAO 2.47934
12 4NNB OAA 2.54545
13 6FKW PQQ 2.54545
14 2CIR BG6 2.54545
15 2F2H XTG 2.54545
16 4CQM NAP 2.68199
17 4NMC FAD 2.90909
18 5M7S NHT 2.90909
19 2H7C COA 3.27273
20 1UAS GLA 3.63636
21 3FYP PEP 4
22 4B7P 9UN 4.34783
23 5L6G XYP 4.36364
24 1UNB PN1 4.36364
25 2HSA FMN 4.72727
26 6CI9 NAP 4.72727
27 5EPQ OLA 4.87805
28 3U2U UDP 5.32319
29 1OFD AKG 6.18182
30 3A23 GAL 6.18182
31 1KGI T4A 7.08661
32 2A14 SAH 7.98479
33 3U6W KIV 8.72727
34 4CYD CMP 9.33333
35 2P3B 3TL 10.101
36 2CHN NGT 13.4545
37 4RPL FAD 16
Pocket No.: 3; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 1o68.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4OIT MAN None
2 5YJF SAH 1.09091
3 1EBG PAH 1.45455
4 5KZD RCJ 1.81818
5 3QWB NDP 1.81818
6 5AE9 OKO 2.18182
7 1PR9 NAP 2.45902
8 3Q9T FAY 2.90909
9 4OIV XX9 3.09735
10 5XVG 8FX 3.27273
11 1REQ DCA 3.63636
12 4A4X JUP 4.36364
13 3VEH 0GA 5.45455
14 3VKC FPQ 5.81818
15 4XP7 FNR 6.18182
16 3ANY 2A3 7.27273
17 6ALW BMJ 8.36364
18 1PZX PLM 11.2727
Pocket No.: 4; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1o68.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3T7V MD0 1.81818
2 3A4X NAG NAG NAG NDG 2.18182
3 2JLD AG1 2.18182
4 1U1J MET 2.54545
5 3W9Z FMN 2.54545
6 1U3D FAD 3.33988
7 5VC5 96M 4.36364
8 2Q7D ANP 4.36364
9 3SSO SAH 4.72727
10 4S28 AIR 6.54545
11 4S28 SAH 6.54545
12 5IFS ADP 9.45455
13 1YVM TMG 10.2273
14 1Z48 FMN 24.3636
Pocket No.: 5; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y7G AAE 2.90909
2 3KCC CMP 3.46154
3 5IFK HPA 5.81818
4 3FC2 IBI 5.97015
Pocket No.: 6; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 3
This union binding pocket(no: 7) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4X7Y SAH 1.45985
2 2DKH 3HB 2.54545
3 1T3Q FAD 7.63636
Pocket No.: 8; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4L2I FAD 4.94297
2 2BIF BOG 11.2727
Pocket No.: 10; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: 4
This union binding pocket(no: 11) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2AL2 PEP 1.45455
2 1NFQ NAI 2.30769
3 1F0X FAD 4
4 3H4L ANP 6.18182
Pocket No.: 12; Query (leader) PDB : 1O68; Ligand: KIV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1o68.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback