-->
Receptor
PDB id Resolution Class Description Source Keywords
1H5R 1.9 Å EC: 2.7.7.24 THYMIDYLYLTRANSFERASE COMPLEXED WITH THIMIDINE AND GLUCOSE-1-PHOSPATE ESCHERICHIA COLI TRANSFERASE PYROPHOSPHATASE NUCLEOTIDE SUGAR METHABOLISM
Ref.: KINETIC AND CRYSTALLOGRAPHIC ANALYSES SUPPORT A SEQUENTIAL-ORDERED BI BI CATALYTIC MECHANISM FOR ESCHERICHIA COLI GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE J.MOL.BIOL. V. 313 831 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G1P A:1294;
B:1294;
C:1294;
D:1294;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
SO4 A:1295;
A:1296;
B:1295;
C:1295;
D:1295;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
THM A:1292;
A:1293;
B:1292;
B:1293;
C:1292;
C:1293;
D:1292;
D:1293;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
242.229 C10 H14 N2 O5 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H5R 1.9 Å EC: 2.7.7.24 THYMIDYLYLTRANSFERASE COMPLEXED WITH THIMIDINE AND GLUCOSE-1-PHOSPATE ESCHERICHIA COLI TRANSFERASE PYROPHOSPHATASE NUCLEOTIDE SUGAR METHABOLISM
Ref.: KINETIC AND CRYSTALLOGRAPHIC ANALYSES SUPPORT A SEQUENTIAL-ORDERED BI BI CATALYTIC MECHANISM FOR ESCHERICHIA COLI GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE J.MOL.BIOL. V. 313 831 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1H5R - THM C10 H14 N2 O5 CC1=CN(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H5R - THM C10 H14 N2 O5 CC1=CN(C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H5R - THM C10 H14 N2 O5 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G1P; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 XGP 1 1
2 GL1 1 1
3 M1P 1 1
4 G1P 1 1
5 R1P 0.852941 0.904762
6 RI2 0.533333 0.837209
7 GFP 0.533333 0.909091
8 GP1 0.533333 0.833333
9 TRE 0.525 0.697674
10 MMA 0.512195 0.674419
11 MBG 0.512195 0.674419
12 GYP 0.512195 0.674419
13 AMG 0.512195 0.674419
14 T6P 0.5 0.930233
15 G16 0.5 0.928571
16 GN1 0.480769 0.754717
17 NG1 0.480769 0.754717
18 MVP 0.472727 0.888889
19 BQZ 0.456522 0.707317
20 YO5 0.454545 0.883721
21 GPM 0.454545 0.883721
22 2M8 0.44 0.714286
23 BNX 0.434783 1
24 ALX 0.434783 1
25 GMB 0.433962 0.928571
26 56N 0.431373 0.697674
27 RGG 0.428571 0.690476
28 BGC GLC 0.423077 0.697674
29 BGC GLA 0.423077 0.697674
30 MLB 0.423077 0.697674
31 GLC BGC 0.423077 0.697674
32 GAL GAL 0.423077 0.697674
33 GLA GLC 0.423077 0.697674
34 GLC GLC 0.423077 0.697674
35 MAN BMA 0.423077 0.697674
36 GAL GLC 0.423077 0.697674
37 LAK 0.423077 0.697674
38 BMA GLA 0.423077 0.697674
39 GLA BGC 0.423077 0.697674
40 MAN MAN 0.423077 0.697674
41 GLA BMA 0.423077 0.697674
42 GAT 0.423077 0.6
43 BMA MAN 0.423077 0.697674
44 MK0 0.42029 0.75
45 DEG 0.42 0.617021
46 GAL PHB 0.418182 0.681818
47 MAN MMA 0.415094 0.666667
48 GLA MBG 0.411765 0.666667
49 LAT GLA 0.411765 0.697674
50 2M4 0.411765 0.697674
51 GLC GLC GLC GLC BGC 0.407407 0.697674
52 GLC GLC GLC 0.407407 0.697674
53 GLC GLC GLC GLC GLC BGC 0.407407 0.697674
54 MAN MAN MAN 0.407407 0.697674
55 BMA MAN MAN 0.407407 0.697674
56 LAT 0.403846 0.697674
57 BGC BMA 0.403846 0.697674
58 GLC GAL 0.403846 0.697674
59 MAN GLC 0.403846 0.697674
60 NGR 0.403846 0.697674
61 MAB 0.403846 0.697674
62 N9S 0.403846 0.697674
63 MAL 0.403846 0.697674
64 GLA GAL 0.403846 0.697674
65 GAL BGC 0.403846 0.697674
66 BGC GAL 0.403846 0.697674
67 EBG 0.403846 0.630435
68 M3M 0.403846 0.697674
69 BMA GAL 0.403846 0.697674
70 LBT 0.403846 0.697674
71 CBK 0.403846 0.697674
72 LB2 0.403846 0.697674
73 B2G 0.403846 0.697674
74 GLA GLA 0.403846 0.697674
75 EBQ 0.403846 0.630435
76 CBI 0.403846 0.697674
77 SUP 0.403226 0.888889
78 GAL FUC 0.4 0.697674
Ligand no: 2; Ligand: THM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 THM 1 1
2 LLT 1 1
3 0DN 0.777778 0.923077
4 TXS 0.704918 0.869565
5 TMP 0.693548 0.859155
6 T3S 0.68254 0.869565
7 TYD 0.641791 0.873239
8 ID2 0.637931 0.910448
9 T3P 0.629032 0.84507
10 TBD 0.623188 0.837838
11 AZZ 0.609375 0.857143
12 TTP 0.605634 0.873239
13 BVD 0.587302 0.953846
14 BTD 0.550725 0.873239
15 3DT 0.540984 0.953846
16 NYM 0.536232 0.835616
17 FDM 0.536232 0.8
18 THP 0.528571 0.84507
19 WMJ 0.525 0.78481
20 DAU 0.52381 0.863014
21 TLO 0.518519 0.849315
22 DT DT DT 0.518519 0.847222
23 ATM 0.513514 0.779221
24 DUR 0.508197 0.952381
25 0TT 0.506494 0.926471
26 3YN 0.5 0.837838
27 1JB 0.494118 0.837838
28 TDX 0.494118 0.849315
29 3R2 0.494118 0.826667
30 TRH 0.494118 0.837838
31 18T 0.494118 0.837838
32 MCY 0.492308 0.925373
33 74W 0.488636 0.775
34 74X 0.488636 0.775
35 DT DT DT DT DT 0.488372 0.824324
36 ATY 0.487179 0.824324
37 DWN 0.482759 0.815789
38 T3Q 0.482759 0.815789
39 T3F 0.482759 0.815789
40 5HU 0.478873 0.873239
41 DT DT PST 0.477273 0.802632
42 T46 0.477273 0.837838
43 0N2 0.477273 0.805195
44 AZD 0.475 0.792208
45 MMF 0.47191 0.815789
46 0FX 0.47191 0.815789
47 UFP 0.464789 0.786667
48 2DT 0.463768 0.833333
49 QDM 0.461538 0.805195
50 BRU 0.458333 0.786667
51 FNF 0.456522 0.826667
52 AKM 0.456522 0.775
53 1YF 0.456522 0.826667
54 JHZ 0.456522 0.794872
55 5IU 0.452055 0.786667
56 4TG 0.451613 0.826667
57 BVP 0.435897 0.821918
58 T5A 0.431373 0.756098
59 TMC 0.426471 0.882353
60 ABT 0.425287 0.772152
61 DCZ 0.424242 0.880597
62 LDC 0.424242 0.880597
63 QUH 0.42 0.815789
64 FUH 0.42 0.815789
65 4TA 0.419048 0.743902
66 D3T 0.417722 0.847222
67 DT ME6 DT 0.415842 0.802632
68 5MD 0.411765 0.953125
69 DPB 0.407407 0.783784
70 TPE 0.406593 0.802632
71 5BT 0.405797 0.84507
72 B86 0.405797 0.84507
73 ADS THS THS THS 0.40367 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 79
This union binding pocket(no: 1) in the query (biounit: 1h5r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3QPB URA 1.06383
2 5IRR GSP 1.36519
3 1DB1 VDX 2.3166
4 5NJI 8Z2 2.38908
5 5CWA 0GA 2.38908
6 4WZ8 3W7 2.38908
7 4TQK NAG 2.38908
8 5X20 NAD 2.38908
9 2DFV NAD 2.38908
10 3R35 4CO 2.64901
11 3CV3 UDP 2.73038
12 1LVL FAD 3.07167
13 4KQW NAP 3.07167
14 4AUT FAD 3.07167
15 1PL6 572 3.07167
16 4N49 SAM 3.07167
17 1PL6 NAD 3.07167
18 4WOP CTP 3.11111
19 1PN4 HDC 3.21429
20 2YQS UD1 3.41297
21 2OEG UPG 3.41297
22 3F8D FAD 3.41297
23 1EYR CDP 3.50877
24 4G86 BNT 3.52113
25 5E4R NAP 3.75427
26 4XDZ NDP 3.75427
27 3S1S SAH 3.75427
28 1GUZ NAD 3.75427
29 2ICY UPG 4.09556
30 5CXX FER 4.36364
31 4K4D HFQ 4.37956
32 1JV1 UD1 4.43686
33 1QMG APX 4.43686
34 4JK3 NAD 5.01931
35 1I52 CTP 5.08475
36 4MZQ 1VU 5.55556
37 4K49 HFQ 5.88235
38 5XPL 8C9 5.90406
39 5JE0 AZ8 6.07287
40 5JE0 SAH 6.07287
41 5Z20 NAI 6.14334
42 2A92 NAI 6.48464
43 1H7F C5P 6.93878
44 2XVM SAH 7.03518
45 5DRB 5FJ 7.2165
46 3A4T SFG 7.29927
47 4E5N NAD 7.84983
48 3K8D CTP 7.95455
49 1HXD BTN 8.19113
50 3GFB NAD 8.53242
51 5UFN SAH 8.82353
52 1OFD AKG 8.87372
53 1OFD FMN 8.87372
54 3B0P FMN 8.87372
55 2XYQ SAH 9.01639
56 1I7Q PYR 9.05588
57 3OH3 UAD 9.21502
58 5HJM MTA 9.21502
59 1WN3 HXC 9.55882
60 6EHH 2GE 9.65909
61 3IOI 1GW 9.89761
62 1FRW GTP 10.8247
63 1W55 C 11.6041
64 1WVC CTP 11.9691
65 2Y6P CTP 12.3932
66 5HS2 CTP 12.5
67 4M20 COA 12.5984
68 2YC5 6BC 13.5965
69 2NAD NAD 15.3584
70 5N6C NAD 16.7235
71 1YP4 ADQ 23.8908
72 1YP4 ADP 23.8908
73 2XWL CTP 26.9058
74 4KQL 1SG 30.0341
75 1FWY UD1 30.3754
76 1HV9 UD1 30.3754
77 2PA4 UPG 34.1297
78 3JUK UPG 44.8399
79 4Y7U 2KH 47.1861
Pocket No.: 2; Query (leader) PDB : 1H5R; Ligand: G1P; Similar sites found with APoc: 68
This union binding pocket(no: 2) in the query (biounit: 1h5r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5O4J SAH None
2 5O4J PJL None
3 2REG CHT 1.70648
4 4O33 3PG 1.70648
5 4O33 TZN 1.70648
6 5YVT NAI 1.70648
7 2QV6 GTP 2.23881
8 3DUV KDO 2.29008
9 2Z48 A2G 2.38908
10 4AMV F6R 2.38908
11 1ZPD DPX 2.38908
12 3FXU TSU 2.38908
13 3EYA TDP 2.38908
14 2JFV FLC 2.4055
15 5MW4 5JU 2.73038
16 2PFZ PCA 2.73038
17 1RP7 TZD 2.73038
18 5C9P FUC 3.07167
19 1QPR PPC 3.16901
20 2YQS UD1 3.41297
21 3VC1 SAH 3.41297
22 3VC1 GST 3.41297
23 2OEG UPG 3.41297
24 2BDG PBZ 3.58744
25 5E9H MLI 3.75427
26 3ZLB ANP 3.75427
27 2R5N TPP 3.75427
28 2ZAT NAP 3.84615
29 5XK9 GST 3.87931
30 5XK9 DMA 3.87931
31 3OJF IMJ 3.89105
32 3OJF NDP 3.89105
33 1MOQ GLP 4.09556
34 1OFZ FUC 4.09556
35 1OFZ FUL 4.09556
36 1JV1 UD1 4.43686
37 4BMO FMN 5.04202
38 4A34 FUL 5.44218
39 1QPG MAP 5.46075
40 5LV1 78T 5.71429
41 1T9D FAD 5.80205
42 2GU8 796 6.14334
43 1L7N ALF 6.63507
44 5CG1 NAD BBN 7.16724
45 4QIJ 1HA 7.16724
46 5ME4 HP4 7.66423
47 3K8D KDO 7.95455
48 1QG6 TCL 8.04598
49 1QG6 NAD 8.04598
50 3OH3 UAD 9.21502
51 4D04 FAD 9.89761
52 4D04 NAP 9.89761
53 2WKV COA 10.5802
54 3ZNN FAD 11.2628
55 3ZNN 4WL 11.2628
56 5OF1 SAL 11.4286
57 2CI5 HCS 13.0282
58 2BO4 FLC 13.9932
59 4HBM 0Y7 15
60 1YP4 ADQ 23.8908
61 4KQL 1SG 30.0341
62 1FWY UD1 30.3754
63 1HV9 UD1 30.3754
64 2X65 M1P 33.3333
65 2PA4 UPG 34.1297
66 4JD0 1KH 37.4502
67 5Z0A NAG 39.2491
68 3JUK UPG 44.8399
Pocket No.: 3; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 111
This union binding pocket(no: 3) in the query (biounit: 1h5r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 3H7U NAP 1.36519
3 4HXY NDP 1.36519
4 5THY SAH 1.36519
5 3II1 BGC 1.70648
6 1RQL VSO 1.87266
7 4HA6 FAD 2.04778
8 2D1S SLU 2.04778
9 5C03 AGS 2.04778
10 5YRI GLC GLC 2.11268
11 1XG5 NAP 2.15054
12 5GWT SIN 2.15827
13 5GWT NAD 2.15827
14 2B4Q NAP 2.17391
15 4O0L NDP 2.18182
16 3AY6 NAI 2.23048
17 4MOB COA 2.38908
18 1QO8 FAD 2.38908
19 5E9G GLV 2.38908
20 4NV7 COA 2.38908
21 5W6Y TRP 2.38908
22 2BD0 NAP 2.45902
23 4XTX 590 2.59259
24 4OSP NAP 2.6616
25 1DUB CAA 2.68199
26 1UXG NAD 2.73038
27 1UXG FUM 2.73038
28 3NTA FAD 3.07167
29 3NTD FAD 3.07167
30 3LU1 NAD 3.07167
31 3ICT FAD 3.07167
32 3ICS FAD 3.07167
33 3ICR FAD 3.07167
34 5Z75 NAD 3.07167
35 6ACS CIT 3.10078
36 4DEC 3PG 3.41297
37 4DEC UDP 3.41297
38 5ZI2 NAD 3.41297
39 1KEV NDP 3.41297
40 6GNC FAD 3.41297
41 1U7T NAD 3.44828
42 1FK8 NAD 3.50195
43 1GEG NAD 3.51562
44 5X1M THG 3.75427
45 1GV0 NAD 3.75427
46 5X1M DHB 3.75427
47 3P8N L4T 3.76344
48 3ALT MLB 3.82166
49 3AFN NAP 3.87597
50 2CFC NAD 4
51 2HJR APR 4.09556
52 4GLL NAD 4.09556
53 1N2X SAM 4.09556
54 5O5Y GLC 4.09556
55 1HDR NAD 4.09836
56 1ZEM NAD 4.19847
57 1WDK NAD 4.43686
58 1H5Q NAP 4.5283
59 4XW2 SIM 4.54545
60 5TZJ UD1 4.77816
61 2E5V FAD 4.77816
62 6F7L FAD 4.77816
63 3ITJ FAD 4.77816
64 4UP3 FAD 4.77816
65 2JAH NDP 4.8583
66 2BNF UTP 4.97925
67 5N6N SUC 5
68 1E6W NAD 5
69 6CI9 NAP 5.01931
70 4PLG NAI 5.11945
71 4PLG OXM 5.11945
72 4GAH 0ET 5.26316
73 3TN7 NJP 5.44747
74 1XHL NDP 5.46075
75 4PLT OXM 5.46075
76 4PLT NAI 5.46075
77 1PZG A3D 5.46075
78 3KV8 FAH 5.7554
79 3CKJ CIT 5.80205
80 3VPH NAD 5.80205
81 1SOW NAD 5.80205
82 4YAG NAI 5.88235
83 1IY8 NAD 5.99251
84 1XKQ NDP 6.07143
85 2APC UDM 6.14334
86 4X7G NAP 6.3745
87 2IVD FAD 6.48464
88 1LDN NAD 6.48464
89 1HYH NAD 6.48464
90 4ZRB COA 6.56934
91 5EZ7 FAD 6.82594
92 4CQM NAP 6.96721
93 4M0R 644 7.50853
94 1ZVW PRP 7.50853
95 4D7E FAD 7.50853
96 4X1T UDP 7.50853
97 5E72 SAM 7.50853
98 6F97 FAD 7.84983
99 1XX6 ADP 7.8534
100 4Y9J FAD 8.19113
101 5HSA FAS 8.19113
102 2H7C SIA 8.87372
103 3C3N FMN 9.21502
104 1I1D 16G 9.31677
105 1Z0S ATP 9.35252
106 5AE2 FYC 9.55631
107 5AE2 FAD 9.55631
108 2DKN NAI 13.3333
109 4NBT NAD 13.75
110 5N53 8NB 20
111 5OFW 9TW 23.3184
Pocket No.: 4; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 43
This union binding pocket(no: 4) in the query (biounit: 1h5r.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4NCW 2KN None
2 4JWH SAH 1.36519
3 3EEL 53T 1.76211
4 5FJJ MAN 2.04778
5 4H8N NDP 2.04778
6 2QV6 GTP 2.23881
7 1UUO BRF 2.38908
8 4MFZ MFK 2.38908
9 5G5G MCN 2.62009
10 4KQI RBZ 2.73038
11 4KQI NIO 2.73038
12 6EMU SAM 3.04569
13 4NMC FAD 3.07167
14 3GGO ENO 3.07167
15 3GGO NAI 3.07167
16 1XPJ TLA 3.1746
17 1F76 FMN 3.41297
18 6DEF GCP 3.75427
19 3CH6 311 3.84615
20 3CH6 NAP 3.84615
21 4B4U NAP 4.09556
22 2W9S TOP 4.34783
23 2X7J TPP 4.43686
24 5WX3 COA 4.54545
25 4JWF SAH 4.60829
26 4O8A FAD 4.65793
27 2UXI G50 4.7619
28 2VHW NAI 4.77816
29 2BW7 APC 5.02283
30 1KSK URA 6.41026
31 5MZY 8EZ 6.41509
32 3QVP FAD 6.82594
33 1D1G MTX 7.14286
34 3NRZ HPA 7.16724
35 3NRZ MTE 7.16724
36 5Y6Q MCN 8.64198
37 5ESO ISC 8.87372
38 5ESO TDP 8.87372
39 4RVU NDP 9.21502
40 2E1A MSE 9.33333
41 5O0B 9FE 11.7284
42 5OYH T99 12.9534
43 3OIX FMN 15.0171
Pocket No.: 5; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 23
This union binding pocket(no: 5) in the query (biounit: 1h5r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2VVM FAD 1.70648
2 3OTX AP5 2.04778
3 4PVV HO4 2.04778
4 1X7D NAD 2.73038
5 1X7D ORN 2.73038
6 4P6G 2FZ 3.09735
7 1A0J BEN 3.13901
8 1DL5 SAH 3.41297
9 5BSH PRO 3.97112
10 12AS AMP 4.09556
11 5UN9 NHT 4.09556
12 3B9O FMN 4.43686
13 3LF0 ATP 5.26316
14 3KIF GDL 5.66038
15 1YC5 NCA 5.69106
16 3H8C NSZ 5.90909
17 5HZX 2GE 6.25
18 1RSG FAD 7.50853
19 1O94 ADP 7.57576
20 5LYH 7B8 8.29016
21 5J6Y GLC 11.1702
22 5J6Y BGC 11.1702
23 2D0V PQQ 16.6667
Pocket No.: 6; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 75
This union binding pocket(no: 6) in the query (biounit: 1h5r.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2ART LPA AMP 1.52672
2 4D9C PMP 1.70648
3 5NDF UDP 1.70648
4 5NDF LU2 1.70648
5 6DNT NAD 1.70648
6 5VCM UDP 2.04778
7 4D57 ARG AMP 2.04778
8 4Z0G 5GP 2.04778
9 5DYO FLU 2.35849
10 1OC2 TDX 2.73038
11 1OC2 NAD 2.73038
12 4B1W ATP 2.73038
13 2V51 ATP 2.73038
14 3MN5 ATP 2.73038
15 3SJH LAR 2.73038
16 3SJH ATP 2.73038
17 5YPU ATP 2.73038
18 4B1X ATP 2.73038
19 6GAS FAD 3.07167
20 2Z6J FMN 3.07167
21 1QF5 RPL 3.41297
22 1QF5 GDP 3.41297
23 1V8B NAD 3.75427
24 5BO9 SIA GAL NGS 3.75427
25 4PIO SAH 4.09556
26 4PIO AVI 4.09556
27 5DN9 NAD 4.09556
28 1P9B HDA 4.09556
29 2ISJ FMN 4.34783
30 3PFD FDA 4.43686
31 3JU6 ARG 4.43686
32 2FF6 ATP 4.66667
33 3IHG FAD 4.6729
34 6FP4 E1T 4.77816
35 1EQ2 NAP 4.77816
36 5ZZA ATP 4.95868
37 4MKF AP5 5.06912
38 1C0I FAD 5.11945
39 1C0I BE2 5.11945
40 3KH5 AMP 5.35714
41 3KH5 ADP 5.35714
42 4DQ2 BTX 5.46075
43 4CBX ATP 5.51181
44 2GN3 MMA 5.55556
45 1ZOA 140 5.80205
46 3QFA FAD 6.35838
47 3LZW NAP 6.48464
48 3LZW FAD 6.48464
49 5YEE ATP 6.61765
50 2W5P CL8 6.71141
51 5WL1 D3D 6.82594
52 5WL1 CUY 6.82594
53 3C6K MTA 6.82594
54 3C6K SPD 6.82594
55 2F01 BTQ 7.08661
56 2F01 BTN 7.08661
57 5ZZB ATP 7.35294
58 4CNK FAD 7.84983
59 3MN7 ATP 8.16327
60 4FZV SAM 8.53242
61 1ZIN AP5 8.75576
62 3RYC GTP 9.55631
63 4LNU GTP 9.55631
64 5EYP GTP 9.55631
65 2ZFZ ARG 10.1266
66 5X8G S0N 10.2389
67 3NKS FAD 10.2389
68 1LES GLC FRU 11.0497
69 5LJW ANP 11.2628
70 2VL1 GLY GLY 12.2867
71 4PL8 ATP 12.3288
72 4M52 FAD 13.3106
73 2PAV ATP 18.705
74 4B1V ATP 34.375
75 4B1V LAB 34.375
Pocket No.: 7; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 23
This union binding pocket(no: 7) in the query (biounit: 1h5r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3O7B SAH 2.45902
2 1U7Z PMT 2.65487
3 4CJX NAP 2.73038
4 4IGH FMN 3.75427
5 4IGH ORO 3.75427
6 4IGH 1EA 3.75427
7 2R5N RP5 3.75427
8 4LZJ 22H 4.09556
9 1TV5 FMN 4.09556
10 3GC8 B45 4.09556
11 4WP9 ZDA 4.51977
12 5OVV ACE ILE GLU SER THR GLU ILE 4.87805
13 1MH5 HAL 5.21739
14 1NAA ABL 5.80205
15 2YKL NLD 6.01852
16 5OVC ACE GLU ALA GLN THR ARG LEU 6.25
17 4ITU 1HS 6.3197
18 2B6N ALA PRO THR 6.83453
19 1COY FAD 7.16724
20 1COY AND 7.16724
21 3AI7 TPP 7.16724
22 1FIQ FAD 7.16724
23 4YNU FAD 7.84983
Pocket No.: 8; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 45
This union binding pocket(no: 8) in the query (biounit: 1h5r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5WDR GNP None
2 6C7R EO4 None
3 1GZF ADP 1.4218
4 5KOX FAD 2.73038
5 5MW4 5JU 2.73038
6 1JN2 SFP 2.95359
7 5XFV FMN 3.41297
8 1V97 FAD 3.75427
9 3Q9T FAY 3.75427
10 1V97 MTE 3.75427
11 2Q8Z NUP 4.43686
12 5DI9 GNP 4.64135
13 5UWP GNP 4.64135
14 5UWS GNP 4.64135
15 5DHF GNP 4.64135
16 5UWU GNP 4.64135
17 5UWR GNP 4.64135
18 5UWW GNP 4.64135
19 5DIF GNP 4.64135
20 5UWH GNP 4.64135
21 3ZH4 FLC 4.77816
22 3WYF GTP 4.77816
23 3M1I GTP 4.77816
24 1WQ1 AF3 4.81928
25 4HAT GNP 5.09259
26 2FZH DH1 5.33981
27 1NAA 6FA 5.80205
28 3GJX GTP 5.80205
29 6HOY TSN 5.80205
30 1IBR GNP 6.14334
31 1WA5 GTP 6.25
32 2O66 FLC 6.66667
33 3NRZ FAD 7.16724
34 5TDF ADE 7.16724
35 2PW0 TRC 7.16724
36 4NS0 PIO 7.5188
37 4MFL MFK 7.84983
38 4B3J COA 8.53242
39 4JB1 FAD 8.87372
40 4JB1 NAP 8.87372
41 4YSW FAD 8.87372
42 4YSW NAI 8.87372
43 2ZRU FMN 9.21502
44 4JAL SAH 10.1796
45 2RGO FAD 18.7713
Pocket No.: 9; Query (leader) PDB : 1H5R; Ligand: G1P; Similar sites found with APoc: 52
This union binding pocket(no: 9) in the query (biounit: 1h5r.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3AJM 4IP None
2 3GGF GVD 1.36519
3 4Z87 GDP 2.04778
4 1US5 GLU 2.04778
5 5KGS 6SR 2.04778
6 4R6W SAH 2.32558
7 4DPL NAP 2.38908
8 1VPE ANP 2.38908
9 4DNJ ANN 2.38908
10 1KZN CBN 2.43902
11 3IQE F42 2.4735
12 5FI3 NAP 2.80112
13 2IO8 ADP 3.07167
14 1CSI CMX 3.07167
15 1CSI OAA 3.07167
16 5THQ NDP 3.07167
17 2AQX ATP 3.11419
18 5CEO 50D 3.41297
19 2ZOF BES 3.41297
20 2F7A BEZ 3.44828
21 1IG3 VIB 3.80228
22 4N9I PCG 3.80952
23 1KRR ACO 3.94089
24 4U0W 16G 4.06504
25 2XXP DSL 4.43686
26 2EXX NAP 4.43686
27 3LA3 2FT 4.52675
28 1FDQ HXA 4.58015
29 5HWV MBN 4.61538
30 4Q9N NAI 5.46075
31 4N02 FNR 5.46075
32 3G5S FAD 5.80205
33 1GR0 NAD 5.80205
34 3TWO NDP 6.48464
35 1IXE CIT 6.48464
36 3AB1 FAD 6.82594
37 1GQ2 NAP 6.82594
38 2VAR ANP 7.16724
39 3AI7 TPP 7.16724
40 2QUN FUD 7.24138
41 4DO1 ANN 7.50853
42 4J7U NAP 7.63889
43 4J7U YTZ 7.63889
44 5CAE SIN 8.30671
45 2NNQ T4B 8.39695
46 2P53 NNG 12.2867
47 5LFV SIA GAL NAG 13.6519
48 1DZK PRZ 14.6497
49 1MXI SAH 15
50 2GJN NIS 15.3584
51 5VN0 NAI 17.7474
52 1U59 STU 18.1185
Pocket No.: 10; Query (leader) PDB : 1H5R; Ligand: G1P; Similar sites found with APoc: 18
This union binding pocket(no: 10) in the query (biounit: 1h5r.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5O4J 9KH None
2 3GF4 FAD 1.70648
3 3GF4 UPG 1.70648
4 1GA8 UPF 1.70648
5 4EHU ANP 1.81159
6 5TTJ FAD 2.38908
7 6ES9 FAD 2.38908
8 4ZW9 GLC 3.41297
9 4ZW9 BGC 3.41297
10 1LK7 DER 4.36681
11 4JK3 NAD 5.01931
12 4A62 ANP 5.11945
13 1O5I NAD 5.22088
14 4U31 MVP 5.46075
15 1SZD APR 10.2389
16 5YJF SAH 12.3239
17 1W85 TDP 14.2857
18 4ZSI GLP 18.1287
Pocket No.: 11; Query (leader) PDB : 1H5R; Ligand: THM; Similar sites found with APoc: 16
This union binding pocket(no: 11) in the query (biounit: 1h5r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 1Z83 AP5 2.55102
3 1QF9 ALF 2.57732
4 1QF9 ADP 2.57732
5 1QF9 C5P 2.57732
6 3H5N ATP 2.73038
7 4Z24 FAD 3.75427
8 1T36 U 4.09556
9 2PHN GDP 4.33071
10 4I5I NAD 4.87805
11 4KXQ APR 4.98221
12 3MF2 AMP 5.11945
13 2CZL TLA 6.61765
14 4WEI GLC GAL 6.85921
15 4O08 PO6 8.53242
16 1WWZ ACO 11.9497
Pocket No.: 12; Query (leader) PDB : 1H5R; Ligand: G1P; Similar sites found with APoc: 16
This union binding pocket(no: 12) in the query (biounit: 1h5r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2PEL LBT 2.54237
2 4XTX 590 2.59259
3 3P7I P7I 2.73038
4 3GP3 SEP 3.11284
5 2JK0 ASP 3.75427
6 4XT8 NAP 3.87597
7 4XT8 TMQ 3.87597
8 2OL1 UMP 4.08163
9 6MPT C30 4.1958
10 3BJE URA 4.77816
11 1AJ8 CIT 5.46075
12 3KFC 61X 5.5336
13 2NW9 FT6 6.14334
14 5OC1 ANN 8.87372
15 6A56 LAT 9.7561
16 6FFK D7Z 16.9935
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