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Receptor
PDB id Resolution Class Description Source Keywords
1RBL 2.2 Å EC: 4.1.1.39 STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPH CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301 SYNECHOCOCCUS ELONGATUS LYASE(CARBON-CARBON) LYASE
Ref.: STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM SYNECHO PCC6301. ACTA CRYSTALLOGR.,SECT.D V. 49 548 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:476;
B:476;
C:476;
D:476;
E:476;
F:476;
G:476;
H:476;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
FMT A:478;
B:478;
C:478;
D:478;
E:478;
F:478;
G:478;
H:478;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
MG A:477;
B:477;
C:477;
D:477;
E:477;
F:477;
G:477;
H:477;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RBL 2.2 Å EC: 4.1.1.39 STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPH CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301 SYNECHOCOCCUS ELONGATUS LYASE(CARBON-CARBON) LYASE
Ref.: STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM SYNECHO PCC6301. ACTA CRYSTALLOGR.,SECT.D V. 49 548 1993
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
2 1RBL - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
2 1RBL - CAP C6 H14 O13 P2 C([C@H]([C....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1UWA - CAP C6 H14 O13 P2 C([C@H]([C....
2 1UW9 - CAP C6 H14 O13 P2 C([C@H]([C....
3 8RUC - CAP C6 H14 O13 P2 C([C@H]([C....
4 1UPM - CAP C6 H14 O13 P2 C([C@H]([C....
5 1AA1 - 3PG C3 H7 O7 P C([C@H](C(....
6 1RCO - XDP C5 H14 O12 P2 C([C@H]([C....
7 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C([C@H]([C....
8 1RXO - RUB C5 H12 O11 P2 C([C@H]([C....
9 1UPP - CAP C6 H14 O13 P2 C([C@H]([C....
10 1RCX - RUB C5 H12 O11 P2 C([C@H]([C....
11 1UZD - CAP C6 H14 O13 P2 C([C@H]([C....
12 1UZH - CAP C6 H14 O13 P2 C([C@H]([C....
13 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
14 1RBL - CAP C6 H14 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DER 0.434783 0.918919
4 DEZ 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
8 HG3 0.404762 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 142
This union binding pocket(no: 1) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4JEJ 1GP 2.45902
2 4GN8 ASO 2.67559
3 2BLE 5GP 2.75229
4 4KCT PYR 2.75229
5 5BJX NAD 3.00546
6 2FLI DX5 3.18182
7 2C6Q NDP 3.4188
8 2C6Q IMP 3.4188
9 5G6U YJM 3.44828
10 5CSS G3P 3.53982
11 4ORM ORO 3.66972
12 4ORM FMN 3.66972
13 4ORM 2V6 3.66972
14 1TV5 FMN 3.66972
15 4TQK NAG 3.66972
16 5AHN IMP 4.06852
17 5DYO FLU 4.24528
18 4HKP TKW 4.48718
19 4HKP 16B 4.48718
20 5A1S FLC 4.58716
21 1PVN MZP 4.58716
22 4EWN 0VR 4.58716
23 1ME8 RVP 4.58716
24 2GGH NLQ 4.58716
25 2DW7 SRT 4.58716
26 4LOC OXM 4.58716
27 3CL7 HYN 4.58716
28 3MI2 PFU 5.01792
29 2QCD U5P 5.38462
30 5OKU 0L1 5.50459
31 2WQP WQP 5.50459
32 5LIA 6XN 5.50459
33 3CTL S6P 5.62771
34 2F6U CIT 5.98291
35 2BTM PGA 6.34921
36 4NAE 1GP 6.42202
37 5W75 SUC 6.42202
38 3B0P FMN 6.42202
39 2NSX IFM 6.42202
40 6BVE PGA 6.42202
41 3VSV XYP 6.42202
42 4V15 PLP 6.42398
43 3B8I OXL 6.62021
44 3EXS 5RP 7.33945
45 1QDS PGA 7.33945
46 3TAO PGH 7.33945
47 4BI7 PGA 7.33945
48 5A5W GUO 7.33945
49 3S5W ONH 7.33945
50 5HC0 NPO 7.33945
51 1DBT U5P 7.33945
52 2PEL LBT 7.33945
53 5XFV FMN 7.33945
54 2XG5 EC5 7.33945
55 2XG5 EC2 7.33945
56 2GQS C2R 7.33945
57 3MJY FMN 7.33945
58 3MJY IJZ 7.33945
59 2CYC TYR 7.33945
60 3HCH RSM 7.53425
61 2VSS V55 7.6087
62 4I9A NCN 8.25688
63 2CJA ATP 8.25688
64 4AF0 IMP 8.25688
65 2PP3 LGT 8.25688
66 1IT7 GUN 8.25688
67 2ZZV LAC 8.25688
68 2Z6J FMN 8.25688
69 1A0J BEN 8.25688
70 2VSU V55 9.17431
71 4Z87 5GP 9.17431
72 1CX9 NHP 9.17431
73 1M5W DXP 9.17431
74 1GTE IUR 9.17431
75 1GTE FMN 9.17431
76 3WIR BGC 9.17431
77 2VWT PYR 9.17431
78 6E8I PTR 9.46746
79 3T64 DU3 9.94475
80 1SW0 PGA 10.0917
81 2Q8Z NUP 10.0917
82 1TRD PGH 10.0917
83 5I34 GDP 10.0917
84 1W8S FBP 10.0917
85 1VKF CIT 10.1064
86 3QH2 3NM 10.8597
87 1ONI BEZ 10.8696
88 5J5R IMP 11.0092
89 5J5R 6G1 11.0092
90 4UWH JXM 11.0092
91 2FFC U5P 11.0092
92 1FDJ 13P 11.0092
93 2NU8 COA 11.0092
94 1DQX BMP 11.6105
95 3C3N FMN 11.9266
96 4IP7 FLC 11.9266
97 1Q6O LG6 12.037
98 4PTN GXV 12.844
99 4IGH FMN 12.844
100 4IGH 1EA 12.844
101 4IGH ORO 12.844
102 1UUO FMN 12.844
103 1UUO ORO 12.844
104 1UUO BRF 12.844
105 3O75 F1X 12.844
106 4IXH IMP 12.844
107 2Y7G AAE 12.844
108 1X1Z BMP 13.0952
109 2D3S TNR 13.2231
110 1W3T 3GR 13.7615
111 4BCQ TJF 13.7615
112 1EP2 ORO 13.7615
113 1LOR BMP 14.4737
114 5FYR INS 14.6789
115 4Z0G 5GP 14.6789
116 1OVD ORO 14.6789
117 1OVD FMN 14.6789
118 5TVM PUT 14.6789
119 4UTW RFW 14.8472
120 4UTU LRY 15.2838
121 2Y88 2ER 16.5138
122 1Z44 FMN 16.5138
123 4TMC FMN 17.4312
124 5TCI MLI 18.3486
125 1EIX BMQ 18.3486
126 5EYW PGA 18.3486
127 2HSA FMN 18.3486
128 2YPI PGA 19.2661
129 2WZF BGC 19.2661
130 3VKC FPQ 22.0183
131 4NJH SAM 22.1739
132 4NJH 2K8 22.1739
133 4WZH FMN 22.9358
134 2TPS TPS 23.7885
135 3OVR 5SP 23.8532
136 1LYX PGA 23.8532
137 3GLC R5P 24.7706
138 4YMZ 13P 24.7706
139 5XIO ANP 26.6055
140 1JCM 137 31.1927
141 4BXF AKG 31.5789
142 2OEM 1AE 41.6465
Pocket No.: 2; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4UOX PUT 4.58716
2 5K8P 6R8 5.50459
3 2O66 FLC 5.50459
4 1C5C TK4 6.42202
5 2RI1 GLP 8.25688
6 6MDE MEV 11.0092
7 4NRT 2NG 12.844
8 5HWV MBN 13.0769
9 4BCN T9N 13.7615
10 3AI3 SOE 14.6789
11 3N2O AG2 26.6055
Pocket No.: 3; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5XDT MB3 2.5974
2 1D4D SIN 10.0917
3 5VIT MLI 12.844
Pocket No.: 4; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3CXO 1N5 4.58716
2 3O94 NCA 6.42202
3 3CEV ARG 17.4312
Pocket No.: 5; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3K5I AIR 3.22581
2 1OAA OAA 5.01931
3 2HJR CIT 6.42202
4 5MDH MAK 12.844
Pocket No.: 6; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3BJE URA 4.58716
2 3WUC GLC GAL 5.83942
3 6CI9 F3V 8.10811
4 3Q9T FAY 11.0092
Pocket No.: 7; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5LXB 7A9 5.50459
2 2EAE LBT 6.42202
3 5H41 IFM 6.42202
4 4CFU 2WC 13.7615
Pocket No.: 8; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2J5B TYE 5.50459
2 5IKR ID8 8.25688
3 3MI3 LYS 9.17431
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