-->
Receptor
PDB id Resolution Class Description Source Keywords
5A0U 2.4 Å EC: 4.-.-.- STRUCTURE OF CUTC CHOLINE LYASE CHOLINE BOUND FORM FROM KLEB PNEUMONIAE. KLEBSIELLA PNEUMONIAE LYASE CUTC CHOLINE TMA LYASE GLYCYL RADICAL ENZYME
Ref.: STRUCTURE AND FUNCTION OF CUTC CHOLINE LYASE FROM H MICROBIOTA BACTERIUM KLEBSIELLA PNEUMONIAEE J.BIOL.CHEM. V. 290 21732 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHT H:2000;
G:2000;
F:2000;
B:2000;
E:2000;
A:2000;
D:2000;
C:2000;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
104.171 C5 H14 N O C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A0U 2.4 Å EC: 4.-.-.- STRUCTURE OF CUTC CHOLINE LYASE CHOLINE BOUND FORM FROM KLEB PNEUMONIAE. KLEBSIELLA PNEUMONIAE LYASE CUTC CHOLINE TMA LYASE GLYCYL RADICAL ENZYME
Ref.: STRUCTURE AND FUNCTION OF CUTC CHOLINE LYASE FROM H MICROBIOTA BACTERIUM KLEBSIELLA PNEUMONIAEE J.BIOL.CHEM. V. 290 21732 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 5A0U - CHT C5 H14 N O C[N+](C)(C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 5A0U - CHT C5 H14 N O C[N+](C)(C....
2 5FAU - CHT C5 H14 N O C[N+](C)(C....
3 5FAW - CHT C5 H14 N O C[N+](C)(C....
4 5FAY - CHT C5 H14 N O C[N+](C)(C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5A0U - CHT C5 H14 N O C[N+](C)(C....
2 5FAU - CHT C5 H14 N O C[N+](C)(C....
3 5FAW - CHT C5 H14 N O C[N+](C)(C....
4 5FAY - CHT C5 H14 N O C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CHT 1 1
2 ETM 0.411765 0.78125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 86
This union binding pocket(no: 1) in the query (biounit: 5a0u.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6BQC LOP 1.82768
2 5EYG NAP 1.88679
3 1UA4 BGC 1.97802
4 1UA4 GLC 1.97802
5 1JS3 PLP 142 2.05761
6 4PYW ACE THR THR ALA ILE NH2 2.22772
7 2VD9 IN5 2.30179
8 2VD9 EPC 2.30179
9 2E5V FAD 2.33051
10 5O0J GLC 2.42826
11 4RJK PYR 2.45184
12 3B1Q NOS 2.45399
13 1QMG DMV 2.48092
14 4FWE FAD 2.51572
15 1VFS DCS 2.59067
16 1DIG NAP 2.61438
17 4X9X OLA 2.67559
18 4GA6 AMP 2.92398
19 2FVK DUC 3.04114
20 3WQD PLP 999 3.07692
21 2PA4 UPG 3.09598
22 4LUT DCS 3.11688
23 4I9A NCN 3.125
24 5L9B AKG 3.1746
25 5EJ2 NAD 3.24675
26 4EYG VNL 3.26087
27 5X1M DHB 3.37553
28 5U23 TQP 3.40314
29 4ZDC CO8 3.66667
30 2IW1 U2F 3.74332
31 3ITJ FAD 3.84615
32 1WVG CXY 3.89972
33 1TLL FMN 3.92442
34 1V7C HEY 3.9886
35 3NUG NAD 4.04858
36 5YRL GLC GLC 4.22535
37 4Y30 SAH 4.2735
38 1RJW ETF 4.42478
39 1DZK PRZ 4.4586
40 5G6U TRP 4.5977
41 3AB1 FAD 4.72222
42 4CUB GAL NAG 4.91803
43 3VP6 HLD 5.08806
44 6GAS FAD 5.13595
45 1ZGS XMM 5.14541
46 3FSY SCA 5.42169
47 1Y4Z PCI 5.66406
48 6AC9 ANP 5.67568
49 4WKB TDI 5.7377
50 5X2Z 3LM 5.77889
51 2Q2V NAD 5.88235
52 5QB1 F1C 6.17284
53 3OGN 3OG 6.45161
54 3KV8 FAH 6.47482
55 3F8D FAD 6.50155
56 1FFU CDP 6.74847
57 6GNC FAD 6.80272
58 5YRI GLC GLC 7.04225
59 5YRF GLC GLC 7.04225
60 4RF2 NAP 7.35294
61 3T4L ZEA 7.40741
62 1V1A KDG 8.41424
63 2A8X FAD 9.48276
64 4M52 FAD 9.65665
65 4M52 M52 9.65665
66 5KY3 GFB 10
67 5DKK FMN 10.3448
68 5USZ SKE 10.3806
69 2C49 ADN 10.596
70 3LL5 ADP 11.245
71 3LL5 IPE 11.245
72 4WUJ FMN 11.5646
73 2XZ9 PYR 11.7284
74 3RO7 TDR 12.0755
75 2VAR KDG 12.1406
76 6FLZ MMA 12.5
77 4WOV 3SM 12.9338
78 4GID 0GH 13.1443
79 2J4K U5P 13.7168
80 1J5P NAD 14.6245
81 2TPL HPP 14.9123
82 4K30 NLG 15
83 4JX1 CAH 15.9292
84 5Y6Q MCN 21.6049
85 1H16 PYR 30.9618
86 2YAJ 4HP 43.522
Pocket No.: 2; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 5a0u.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1I NAD 1.78571
2 1LDM NAD 1.82371
3 5TIV A3P 1.97628
4 1UWK NAD 2.1544
5 1UWK URO 2.1544
6 1VBH PEP 2.26415
7 4WZ8 3W7 2.3407
8 2WOX NDP 2.45399
9 1W2D ADP 2.64151
10 2B4Q NAP 2.89855
11 4EU7 COA 3.30739
12 5LXB 7A9 3.39623
13 5LUN ARG 3.40909
14 5LUN OGA 3.40909
15 2WTN FER 3.58566
16 2WKQ FMN 3.61446
17 3A6T 8OG 3.87597
18 1RPN GDP 3.8806
19 4D9M 0JO 4.0201
20 3RGA ILD 4.24028
21 4IDT T28 4.49438
22 3FPF MTA 4.69799
23 3FPF TNA 4.69799
24 2PV7 NAD 4.69799
25 2V0U FMN 4.79452
26 4X7Y SAH 5.10949
27 3QWI CUE 5.18518
28 1E1O LYS 5.55556
29 1ZY5 ANP 5.94059
30 2PTR 2SA 6.06061
31 5KGS 6SR 6.12691
32 5EH0 5NW 6.97674
33 4C5N ACP 7.24638
34 6CI9 NAP 7.33591
35 3JUK UPG 7.47331
36 6GNA FAD 8.33333
37 4UP3 FAD 8.59873
38 3AXM 6PG 11.6279
39 2VAR KDF 12.1406
40 5DJU FMN 13.1148
41 5YSS NAD 14.0625
42 4NG2 OHN 27.4336
43 5EFW FMN 30
Pocket No.: 3; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 26
This union binding pocket(no: 3) in the query (biounit: 5a0u.bio5) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1GZ4 ATP 1.63339
2 6GIU L69 1.80505
3 4Z0G 5GP 1.93705
4 3X0D SAH 2.29008
5 2E7Z MGD 2.33838
6 1DIG L37 2.61438
7 1W2D 4IP 2.64151
8 5HCY 60D 2.71903
9 6CUZ FEV 2.83505
10 3G5S FAD 2.93454
11 3WQM B29 2.99003
12 5LP1 71H 3.09278
13 5G09 6DF 3.10559
14 3C3N FMN 3.20513
15 5X1M THG 3.37553
16 5O5Y GLC 3.44828
17 1NIU DCS 3.60825
18 5NXX 3Q7 3.73134
19 3P7N FMN 4.65116
20 1J0D 5PA 4.69208
21 3HY3 10F 4.92611
22 5TWJ SAM 5.55556
23 5ITZ GDP 7.75194
24 2I8T GDD 8.38323
25 2CXS F6P 9.51526
26 2O1C PPV 18.6667
Pocket No.: 4; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 5a0u.bio5) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 5GP 1.52381
2 2C91 NAP 1.77515
3 5UR1 YY9 1.92926
4 6EZ6 C5Z 2.26415
5 4DC2 ADE 2.27273
6 3X0V FAD 2.40296
7 5FEU NAP 2.4055
8 1U7T NAD 2.68199
9 5FFF NAP 2.72374
10 4N7C AEF 2.84091
11 1XKQ NDP 2.85714
12 2DTX BMA 3.0303
13 2ZL7 FUC GAL NGA 3.05085
14 2NVK FAD 3.07377
15 5W19 9TD 3.42612
16 4USF 6UI 3.61842
17 1H5T DAU 3.75427
18 1GNI OLA 3.93162
19 5THQ NDP 4.04412
20 5T8O 76Z 4.29799
21 3WKX FUB 4.78326
22 4JGP PYR 5.06912
23 5T2U NAP 5.24194
24 1JQ3 AAT 5.40541
25 1ERB ETR 5.46448
26 3AY6 NAI 5.57621
27 5JGA 6KC 5.71429
28 1H5Q NAP 7.16981
29 2X2M X2M 7.64331
30 6C0B PAM 7.69231
31 4NES UDP 7.75401
32 5EOB 5QQ 7.83699
33 1ZK4 AC0 7.96813
34 1ZK4 NAP 7.96813
35 4CQM NAP 8.04598
36 2WZF BGC 8.19048
37 5GWT NAD 8.27338
38 5GWT SIN 8.27338
39 1GEE NAD 8.42912
40 5N87 N66 8.6262
41 1XVB BHL BHL 10
42 2FDW D3G 11.1345
43 5XVG 8FX 11.2628
44 2WSB NAD 11.811
45 1LYB IVA VAL VAL STA ALA STA 14.433
46 5WL1 CUY 15.1515
47 5WL1 D3D 15.1515
Pocket No.: 5; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 33
This union binding pocket(no: 5) in the query (biounit: 5a0u.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1YIQ PQQ 1.45138
2 3UG4 AHR 1.5873
3 1TKB N1T 1.76991
4 2O1S TDP 2.0934
5 1ITZ TPP 2.22222
6 1ZOA 140 2.32558
7 4K26 SFF 2.53623
8 5DX0 SFG 2.5788
9 5FR0 SIZ 2.95082
10 4FHD EEM 3.26087
11 4FHD 0TT 3.26087
12 1O9U ADZ 3.42857
13 3RDE OYP 3.66492
14 3SJU NDP 3.94265
15 1VLH PNS 4.04624
16 5GSN FAD 4.19426
17 5NBW 8SK 4.6729
18 1ZOS MTM 4.78261
19 1MV8 NAD 5.27523
20 5ZFJ 9BF 5.28634
21 2WVZ KIF 5.51075
22 1DUV PSQ 5.70571
23 6HTO MET 5.75
24 6HTO 5AD 5.75
25 3VVY ET 6.18557
26 4URF NAD 6.85484
27 1ZDU P3A 6.93878
28 5G5G MCN 7.42358
29 3B1M KRC 10.6007
30 4GFD 0YB 11.2195
31 5TH5 7C5 11.4068
32 4YCA NDP 14.6259
33 4QED NAP 21.7742
Pocket No.: 6; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 21
This union binding pocket(no: 6) in the query (biounit: 5a0u.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1EU1 MGD 1.15385
2 4E5N NAD 1.81818
3 4AUT FAD 2.13675
4 4IXH IMP 2.77008
5 1N5D NDP 2.77778
6 4EU7 CIT 3.30739
7 2AHR NAP 3.4749
8 1RSG FAD 4.84496
9 4JP3 CIT 5.02092
10 3VY6 BGC BGC 6.38298
11 5WYF ILP 6.49351
12 5YRG BGC GLC 7.04225
13 1H0H MGD 7.94393
14 5AYV NAP 8.09062
15 1OVD ORO 9.6463
16 1OVD FMN 9.6463
17 4ZOH MCN 10.4317
18 5EO8 TFU 10.6109
19 2H6T IVA VAL VAL STA ALA STA 11.4706
20 5KMS FAD 12.5926
21 2PRG BRL 19.3182
Pocket No.: 7; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 28
This union binding pocket(no: 7) in the query (biounit: 5a0u.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5E58 CPZ 2.83976
2 2XVD AS6 2.98013
3 5G3N X28 3.14961
4 2YAK OSV 3.15789
5 1Z83 AP5 3.57143
6 3KP6 SAL 3.97351
7 3W2E FAD 4.05904
8 3W2E NAD 4.05904
9 2ZE7 DST 4.34783
10 2VWT PYR 4.49438
11 1KC7 PPR 4.90566
12 1G8K MGD 5.26316
13 1RO7 CSF 5.40541
14 2IVD FAD 5.43933
15 3C6K SPD 5.77428
16 3C6K MTA 5.77428
17 4WCX MET 5.83333
18 2OO8 RAJ 5.99369
19 4AVV CD 6.37255
20 5JKG 6LF 6.43087
21 1YQS BSA 6.87679
22 2RHQ GAX 7.04402
23 3QXV MTX 7.93651
24 1NAA 6FA 7.94824
25 3E7O 35F 9.72222
26 3MAG 3MA 10.7492
27 1BZY IMU 11.9816
28 3EKK GS2 13.0293
Pocket No.: 8; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 10
This union binding pocket(no: 8) in the query (biounit: 5a0u.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1E4E PHY 2.04082
2 2VVT I24 3.10345
3 5L9V OGA 3.1746
4 2DVZ GLU 3.18471
5 4N02 FNR 3.36134
6 4Z24 FAD 4.1411
7 4BJ8 BTN 4.7619
8 3SXN COA 5.45024
9 1OW4 2AN 17.8295
10 3ORF NAD 18.7251
Pocket No.: 9; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 5a0u.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1N6B DMZ 4.22833
2 1MUU NAD 5.27523
Pocket No.: 10; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 2
This union binding pocket(no: 10) in the query (biounit: 5a0u.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZC STU 5.18518
2 5ECP ATP 8.52018
Pocket No.: 11; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 5
This union binding pocket(no: 11) in the query (biounit: 5a0u.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2HJR APR 3.65854
2 5GQI ATP 4.04858
3 4INB 1F6 6.16438
4 3NW7 LGV 7.49186
5 2GAG FAD 8.09524
Pocket No.: 12; Query (leader) PDB : 5A0U; Ligand: CHT; Similar sites found with APoc: 2
This union binding pocket(no: 12) in the query (biounit: 5a0u.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2WME NAP 2.44898
2 2GJ5 VD3 11.1111
APoc FAQ
Feedback