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Receptor
PDB id Resolution Class Description Source Keywords
1W55 2.3 Å EC: 2.7.7.60 STRUCTURE OF THE BIFUNCTIONAL ISPDF FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI BIFUNCTIONAL ENZYME BIOSYNTHETIC PATHWAY ISOPRENOIDS BIFUNCTIONAL NONMEVALONATE TRANSFERASE
Ref.: HEXAMERIC ASSEMBLY OF THE BIFUNCTIONAL METHYLERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE AND PROTEIN-PROTEIN ASSOCIATIONS IN THE DEOXY-XYLULOSE-DEPENDENT PATHWAY OF ISOPRENOID PRECURSOR BIOSYNTHESIS J.BIOL.CHEM. V. 279 52753 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C A:1372;
A:1373;
Valid;
Valid;
none;
none;
submit data
323.197 C9 H14 N3 O8 P C1=CN...
EDO A:1375;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GPP A:1374;
Valid;
none;
submit data
314.209 C10 H20 O7 P2 CC(=C...
MG A:1371;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W55 2.3 Å EC: 2.7.7.60 STRUCTURE OF THE BIFUNCTIONAL ISPDF FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI BIFUNCTIONAL ENZYME BIOSYNTHETIC PATHWAY ISOPRENOIDS BIFUNCTIONAL NONMEVALONATE TRANSFERASE
Ref.: HEXAMERIC ASSEMBLY OF THE BIFUNCTIONAL METHYLERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE AND PROTEIN-PROTEIN ASSOCIATIONS IN THE DEOXY-XYLULOSE-DEPENDENT PATHWAY OF ISOPRENOID PRECURSOR BIOSYNTHESIS J.BIOL.CHEM. V. 279 52753 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W55 - GPP C10 H20 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W55 - GPP C10 H20 O7 P2 CC(=CCC/C(....
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 1W55 - GPP C10 H20 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 C5P 1 1
2 C 1 1
3 CAR 1 1
4 CDP 0.787879 0.985507
5 HF4 0.753623 0.985507
6 CTP 0.753623 0.985507
7 7XL 0.689189 0.930556
8 16B 0.676471 0.930556
9 AR3 0.672131 0.842857
10 CTN 0.672131 0.842857
11 C2G 0.662338 0.943662
12 I5A 0.634921 0.828571
13 C5G 0.634146 0.930556
14 C C 0.632911 0.942857
15 C C C C 0.62963 0.929577
16 CDC 0.62963 0.8375
17 CDM 0.621951 0.881579
18 CXY 0.607143 0.930556
19 TKW 0.591549 0.985507
20 C3P 0.585714 0.956522
21 5HM 0.575342 0.944444
22 U 0.571429 0.941176
23 U5P 0.571429 0.941176
24 CSV 0.555556 0.917808
25 CSQ 0.555556 0.917808
26 1AA 0.554348 0.893333
27 C2P 0.541667 0.942857
28 PMT 0.540816 0.860759
29 DCM 0.540541 0.902778
30 DC 0.540541 0.902778
31 DKZ 0.521127 0.733333
32 FN5 0.495146 0.858974
33 91P 0.495146 0.839506
34 DOC 0.493333 0.902778
35 ICR 0.486842 0.861111
36 5BU 0.486842 0.876712
37 2AA 0.485714 0.683673
38 MCN 0.485714 0.807229
39 GPC 0.481481 0.829268
40 G C 0.481132 0.848101
41 5FU 0.48 0.876712
42 A C A C 0.477064 0.846154
43 CSF 0.476636 0.858974
44 PCD 0.464286 0.770115
45 U A C C 0.463636 0.857143
46 C5P SIA 0.458716 0.88
47 YYY 0.451219 0.890411
48 CNU 0.45 0.915493
49 UDP 0.45 0.927536
50 44P 0.448718 0.888889
51 DCP 0.447059 0.890411
52 G G G C 0.442478 0.860759
53 A G C C 0.438596 0.858974
54 GTF 0.436782 0.890411
55 V12 0.43617 0.7375
56 NUP 0.435897 0.929577
57 GCQ 0.435294 0.890411
58 UTP 0.433735 0.927536
59 A U C C 0.429752 0.846154
60 2KH 0.428571 0.901408
61 UP6 0.428571 0.887324
62 NVG 0.427083 0.719512
63 G C C C 0.423729 0.871795
64 S5P 0.423077 0.853333
65 GEO 0.418919 0.77027
66 H2U 0.415584 0.861111
67 UDP UDP 0.414634 0.898551
68 FNU 0.4125 0.88
69 JW5 0.4125 0.901408
70 8GM 0.411765 0.906667
71 DCZ 0.410959 0.77027
72 LDC 0.410959 0.77027
73 UPU 0.409091 0.9
74 BMP 0.405063 0.901408
75 BMQ 0.402597 0.885714
76 8OP 0.402299 0.853333
77 UNP 0.402299 0.901408
78 U6M 0.4 0.914286
Ligand no: 2; Ligand: GPP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 GPP 1 1
2 OTP 0.911111 0.95
3 FPP 0.911111 0.974359
4 VTP 0.911111 0.95
5 ZTP 0.911111 0.95
6 GRG 0.911111 0.974359
7 FFF 0.672727 0.904762
8 DSL 0.659574 0.875
9 0K3 0.659574 0.875
10 FJP 0.659574 0.897436
11 FDF 0.654545 0.880952
12 10E 0.617021 0.717391
13 10D 0.617021 0.804878
14 DMA 0.613636 0.868421
15 H6P 0.595745 0.804878
16 10G 0.583333 0.785714
17 A4S 0.545455 0.711538
18 FPF 0.533333 0.904762
19 2CF 0.533333 0.904762
20 FGG 0.52459 0.904762
21 GST 0.518519 0.878049
22 3E9 0.516129 0.926829
23 MGM 0.5 0.745098
24 FPS 0.482759 0.857143
25 GGS 0.482759 0.857143
26 FPQ 0.47619 0.804348
27 LA6 0.473684 0.926829
28 0FV 0.473684 0.926829
29 749 0.461538 0.871795
30 1NH 0.444444 0.787234
31 FII 0.444444 0.649123
32 SZH 0.432432 0.637931
33 PS7 0.426667 0.883721
34 9GB 0.42 0.846154
35 FHP 0.403509 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: 83
This union binding pocket(no: 2) in the query (biounit: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1JV1 UD1 1.34771
2 4HA6 PXM 1.34771
3 4EMI FAD 1.61725
4 1PL6 NAD 1.68539
5 1PL6 572 1.68539
6 2J0B UDP 1.78571
7 1LTH NAD 1.88088
8 1T3D CYS 2.07612
9 2OEG UPG 2.15633
10 1EZ4 NAD 2.20126
11 1IIM TTP 2.39726
12 3OH3 UAD 2.42588
13 1TT8 PHB 2.43902
14 1I1D 16G 2.48447
15 1I1D COA 2.48447
16 1PJS SAH 2.69542
17 1H7F C5P 2.85714
18 1XF1 CIT 2.96496
19 1HV9 UD1 2.96496
20 5X8G S0N 2.96496
21 5U3F 7TS 2.98913
22 1YP4 ADP 3.10421
23 1YP4 ADQ 3.10421
24 1PN4 HDC 3.21429
25 4GKV NAD 3.27381
26 1FWY UD1 3.32326
27 6CAM BGC 3.38983
28 4Y7U 2KH 3.4632
29 6ACS CIT 3.48837
30 3CKJ CIT 3.50404
31 4ZUL UN1 3.50404
32 1FRW GTP 3.60825
33 1XHL TNE 3.7037
34 3RG9 NDP 3.75
35 3RG9 WRA 3.75
36 4UP3 FAD 3.82166
37 1P9P SAH 3.83142
38 2Y6P CTP 3.84615
39 1EYR CDP 3.94737
40 1I7Q PYR 4.04313
41 1EU8 TRE 4.04313
42 3G5D 1N1 4.1958
43 4UTG ANP 4.33526
44 2CZL TLA 4.41176
45 3ZF8 GDP 4.59016
46 9LDB NAD 4.81928
47 4R0M FA5 4.85175
48 2GJ5 VD3 4.93827
49 2APC UDM 4.97076
50 2BO4 FLC 5.12129
51 3LU1 NAD 5.21978
52 5JBE MAL 5.39084
53 1YXM ADE 5.61056
54 3F8K COA 5.625
55 1X87 NAD 5.92992
56 5HW4 SAM 6.04839
57 3JUK UPG 6.04982
58 1PZG A3D 6.34441
59 1IYE PGU 6.47249
60 3IAE D7K 6.73854
61 1LVW TYD 7.11864
62 2ICY UPG 7.81671
63 3ZV6 NAD 8.18505
64 2IU8 PLM 8.35579
65 5LNE A2G GAL 8.53659
66 2YQS UD1 8.89488
67 4YZC STU 8.89488
68 1L7N ALF 10.4265
69 4UUG PXG 10.5422
70 3K8D CTP 11.3636
71 4M7V RAR 11.4286
72 1H5R THM 11.6041
73 1H5S TMP 11.6041
74 1H5T DAU 11.6041
75 2PA4 UPG 12.3839
76 4DEC 3PG 12.5
77 4DEC UDP 12.5
78 4KQL 1SG 13.4771
79 4CE5 PDG 15.9159
80 4CT7 TRP 20.5761
81 1WVC CTP 22.0077
82 5HS2 CTP 40.5172
83 1I52 CTP 41.9492
Pocket No.: 3; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1W55; Ligand: C; 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: 1w55.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2GL0 ADN 2.39521
2 1S4M LUM 5.80205
3 4CS9 AMP 7.93651
4 1ZX5 LFR 10.3333
5 2UZH CDP 49.0909
6 1IV2 CDP 50
Pocket No.: 9; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1W55; Ligand: C; 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: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1W55; Ligand: C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1W55; Ligand: C; 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: 1w55.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: 144
This union binding pocket(no: 14) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 4MFL MFK 0.869565
2 3OJF IMJ 1.16732
3 3OJF NDP 1.16732
4 5EOW FAD 1.34771
5 1N7G NDP 1.88679
6 3K9U ACO 1.88679
7 1N7G GDR 1.88679
8 5BUK FAD 1.88679
9 1OJ7 NZQ 1.88679
10 5N6C TLA 2
11 5NDF UDP 2.10158
12 3LDW IPE 2.15633
13 4Z87 GDP 2.15633
14 3LDW ZOL 2.15633
15 2P4Y C03 2.16606
16 2GRU NAD 2.17391
17 5TWO 7MV 2.20588
18 3G9E RO7 2.21402
19 2WPW ACO 2.35988
20 2WPX ACO 2.35988
21 3W8X FTK 2.42588
22 3W8X FAD 2.42588
23 2WPF FAD 2.42588
24 2WPF WPF 2.42588
25 1I1D COA 2.48447
26 1I1D 16G 2.48447
27 2R68 SUP 2.69542
28 5TUF FAD 2.69542
29 2ILZ GTP 2.69542
30 5WX3 COA 2.96496
31 1B7H LYS NLE LYS 2.96496
32 6C4M NAP 2.96496
33 5FVJ ACO 3.01205
34 5J60 FAD 3.125
35 4OAS 2SW 3.125
36 2QA1 FAD 3.2345
37 3UA1 08Y 3.2345
38 1JQ5 NAD 3.24324
39 2V2V V12 3.32103
40 4IQY AR6 3.33333
41 3B6C SDN 3.4188
42 2GMH UQ5 3.50404
43 4LPG 1MV 3.50404
44 6CD1 PLS 3.50404
45 2GOU FMN 3.56164
46 3SJU NDP 3.58423
47 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 3.68421
48 1U3G THF 3.7037
49 3E1T FAD 3.77358
50 2GQT FAD 3.77358
51 2P1C GG3 3.77358
52 3LLI FAD 3.83142
53 1S7N COA 3.84615
54 4LZJ 22H 3.9604
55 1MZC BNE 4.04313
56 1MZC FPP 4.04313
57 5WKC AUJ 4.04313
58 1G3M A3P 4.08163
59 1G3M PCQ 4.08163
60 4XSU UDP 4.31267
61 2Q3O FMN 4.31267
62 4XSU GLC 4.31267
63 2IW1 U2F 4.31267
64 2GMV UN8 4.31267
65 1EM6 NBG 4.31267
66 5AZC PGT 4.33333
67 3X1M COA 4.40252
68 1VLJ NAP 4.4226
69 2FAV APR 4.44444
70 5KF9 COA 4.57317
71 5KF9 NAG 4.57317
72 2R14 FMN 4.58221
73 2R14 TXD 4.58221
74 6DQU GLY ILE ILE ASN THR LEU 4.58221
75 4P53 NAI 4.85175
76 4XYM COA 5.12129
77 4QVB F42 5.44218
78 2JDC CAO 5.47945
79 2W9S NDP 5.59006
80 2ZPA ACO 5.66038
81 1DMR PGD 5.66038
82 2PRG BRL 5.68182
83 4YV5 SVR 5.7377
84 2OFW ADX 5.76923
85 2C42 PYR 5.92992
86 2C42 TPP 5.92992
87 3TCG LYS GLY GLU 5.92992
88 1N71 COA 6.11111
89 5LX9 OLB 6.18893
90 1RDT 570 6.19835
91 4EIL NDP 6.19946
92 2Q2Y ADP 6.26703
93 2Q2Y MKR 6.26703
94 1FM9 570 6.30252
95 2G86 UMP 6.32911
96 1VI2 NAD 6.33333
97 4D42 NAP 6.38298
98 4D42 W0I 6.38298
99 5BVA FAD 6.469
100 3NYQ MCA 6.73267
101 3NYQ AMP 6.73267
102 1OFD AKG 6.73854
103 1OFD FMN 6.73854
104 1QSR ACO 6.79012
105 1Q2C COA 6.79012
106 3EYK EYK 6.81115
107 4DP3 NDP 7.00809
108 4DP3 MMV 7.00809
109 1PN0 IPH 7.00809
110 1PN0 FAD 7.00809
111 5BRT CH9 7.27763
112 5BRT FAD 7.27763
113 5WPJ NDP 7.27763
114 5X8Q 82R 7.36434
115 4YRY NAD 7.6087
116 3GPO APR 7.7381
117 1OJ4 ANP 7.77385
118 5LOF 70R 7.81671
119 4NSQ COA 7.89474
120 1J3I NDP 7.92683
121 1J3I WRA 7.92683
122 2JJK R15 7.98817
123 3F3E LEU 8.08625
124 5LAU AR6 8.17308
125 5H86 BCO 8.33333
126 4XQC NAD 8.35579
127 2Q6B HR2 8.39002
128 1CM0 COA 8.92857
129 5F1R 42O 9.70464
130 3EWR APR 10.119
131 5MZI FAD 10.2426
132 5MZI FYK 10.2426
133 4WX0 HXD 10.6464
134 5LWY OLB 11.7647
135 1YKJ FAD 11.8598
136 4AUT FAD 12.6685
137 3ZJ0 ACO 14.0777
138 3IA4 MTX 14.1975
139 1TIQ COA 15
140 6EJI UD2 15.6334
141 4P8K 38C 16.25
142 4P8K FAD 16.25
143 5ICE SAH 21.0227
144 2UZH IPE 49.0909
Pocket No.: 15; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1W55; Ligand: GPP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1w55.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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