Receptor
PDB id Resolution Class Description Source Keywords
1ON3 1.9 Å EC: 2.1.3.1 TRANSCARBOXYLASE 12S CRYSTAL STRUCTURE: HEXAMER ASSEMBLY AND SUBSTRATE BINDING TO A MULTIENZYME CORE (WITH M ETHYLMALONYL-COENZYME A AND METHYLMALONIC ACID BOUND) PROPIONIBACTERIUM FREUDENREICHII CARBOXYL TRANSFERASE CRYSTAL STRUCTURE DOMAIN DUPLICATIONMULTIENZYME COMPLEX TRANSCARBOXYLASE
Ref.: TRANSCARBOXYLASE 12S CRYSTAL STRUCTURE: HEXAMER ASSEMBLY AND SUBSTRATE BINDING TO A MULTIENZYME CORE EMBO J. V. 22 2334 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:7001;
B:7002;
C:7003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
DXX A:5001;
B:5002;
C:5003;
D:5004;
E:5005;
F:5006;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
118.088 C4 H6 O4 CC(C(...
MCA A:4001;
B:4002;
C:4003;
D:4004;
E:4005;
F:4006;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
867.607 C25 H40 N7 O19 P3 S C[C@H...
MPD A:6001;
B:6002;
F:6006;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ON3 1.9 Å EC: 2.1.3.1 TRANSCARBOXYLASE 12S CRYSTAL STRUCTURE: HEXAMER ASSEMBLY AND SUBSTRATE BINDING TO A MULTIENZYME CORE (WITH M ETHYLMALONYL-COENZYME A AND METHYLMALONIC ACID BOUND) PROPIONIBACTERIUM FREUDENREICHII CARBOXYL TRANSFERASE CRYSTAL STRUCTURE DOMAIN DUPLICATIONMULTIENZYME COMPLEX TRANSCARBOXYLASE
Ref.: TRANSCARBOXYLASE 12S CRYSTAL STRUCTURE: HEXAMER ASSEMBLY AND SUBSTRATE BINDING TO A MULTIENZYME CORE EMBO J. V. 22 2334 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ON3 - DXX C4 H6 O4 CC(C(=O)O)....
2 1ON9 - MCA C25 H40 N7 O19 P3 S 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 2 families.
1 1ON3 - DXX C4 H6 O4 CC(C(=O)O)....
2 1ON9 - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1XNY - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 3IB9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 4G2R Kd = 35.8 uM H1L C15 H11 Cl F3 N O4 C[C@H](C(=....
4 1ON3 - DXX C4 H6 O4 CC(C(=O)O)....
5 1ON9 - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DXX; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 DXX 1 1
2 SRT 0.411765 0.777778
3 TLA 0.411765 0.777778
4 TAR 0.411765 0.777778
5 IPM 0.409091 0.7
Ligand no: 2; Ligand: MCA; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 MCA 1 1
2 CO6 0.896 0.988636
3 IRC 0.890625 0.977273
4 3KK 0.865079 0.988636
5 ACO 0.864 0.977528
6 OXK 0.858268 0.988636
7 IVC 0.852713 0.977273
8 CAO 0.848 0.934066
9 COS 0.848 0.944444
10 MLC 0.838462 0.988636
11 BCO 0.838462 0.966292
12 3HC 0.838462 0.977273
13 1VU 0.837209 0.977528
14 2MC 0.830769 0.945652
15 2CP 0.825758 0.977528
16 SCA 0.825758 0.988636
17 A1S 0.824427 0.944444
18 1HE 0.824427 0.945055
19 CMC 0.823077 0.966292
20 FYN 0.821705 0.965909
21 1GZ 0.819549 0.955556
22 HGG 0.819549 0.988636
23 CAA 0.818182 0.977273
24 COO 0.818182 0.966292
25 COK 0.815385 0.944444
26 SOP 0.815385 0.966292
27 MCD 0.815385 0.966292
28 MC4 0.81203 0.935484
29 COA 0.809524 0.965909
30 0T1 0.809524 0.94382
31 DCA 0.808 0.94382
32 GRA 0.807407 0.988636
33 FCX 0.806202 0.934066
34 COW 0.80597 0.955556
35 BYC 0.80597 0.966292
36 MRR 0.805755 0.966667
37 MRS 0.805755 0.966667
38 30N 0.804688 0.885417
39 TGC 0.801471 0.977528
40 FAQ 0.8 0.966292
41 BCA 0.8 0.955556
42 SCO 0.79845 0.965909
43 CMX 0.79845 0.965909
44 1CZ 0.79562 0.977528
45 2NE 0.79562 0.945055
46 HXC 0.794118 0.966667
47 ETB 0.793651 0.911111
48 2KQ 0.792593 0.988764
49 3CP 0.792593 0.966292
50 FAM 0.792308 0.923077
51 AMX 0.790698 0.954545
52 CO8 0.782609 0.966667
53 COF 0.779412 0.923913
54 DCC 0.776978 0.966667
55 UCC 0.776978 0.966667
56 5F9 0.776978 0.966667
57 MYA 0.776978 0.966667
58 ST9 0.776978 0.966667
59 MFK 0.776978 0.966667
60 SCD 0.776119 0.965909
61 4CA 0.773723 0.934066
62 HAX 0.772727 0.923077
63 CIC 0.769784 0.966292
64 CS8 0.765957 0.956044
65 WCA 0.765957 0.945055
66 CA6 0.761194 0.877551
67 HDC 0.760563 0.966667
68 4KX 0.760563 0.934783
69 NMX 0.755556 0.875
70 1CV 0.753521 0.988636
71 0FQ 0.751773 0.944444
72 4CO 0.751773 0.934066
73 YNC 0.75 0.955556
74 CAJ 0.75 0.966292
75 DAK 0.75 0.934783
76 01A 0.746479 0.904255
77 0ET 0.746479 0.945055
78 8Z2 0.744828 0.956044
79 YE1 0.73913 0.933333
80 NHM 0.736111 0.945055
81 NHW 0.736111 0.945055
82 UOQ 0.736111 0.945055
83 HFQ 0.731034 0.923913
84 CA8 0.728571 0.877551
85 1HA 0.724832 0.945055
86 S0N 0.72028 0.944444
87 F8G 0.715232 0.946237
88 NHQ 0.711409 0.955056
89 CCQ 0.708333 0.945652
90 7L1 0.705882 0.977528
91 COT 0.703947 0.944444
92 01K 0.697368 0.966292
93 CA3 0.694805 0.944444
94 93P 0.689873 0.955556
95 UCA 0.689873 0.966667
96 CO7 0.678322 0.966292
97 CA5 0.672956 0.904255
98 93M 0.668712 0.955556
99 4BN 0.658824 0.925532
100 5TW 0.658824 0.925532
101 COD 0.656716 0.954545
102 JBT 0.61236 0.926316
103 OXT 0.609195 0.925532
104 HMG 0.597403 0.955056
105 COA PLM 0.589744 0.934066
106 PLM COA 0.589744 0.934066
107 BSJ 0.570621 0.934783
108 SFC 0.565217 0.966667
109 RFC 0.565217 0.966667
110 PAP 0.544715 0.784091
111 ASP ASP ASP ILE CMC NH2 0.54386 0.923077
112 191 0.518987 0.877551
113 PPS 0.507812 0.729167
114 A3P 0.495935 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.491979 0.944444
116 0WD 0.489933 0.763441
117 PTJ 0.45 0.863636
118 PUA 0.436709 0.793478
119 3AM 0.435484 0.761364
120 A22 0.427536 0.786517
121 A2D 0.421875 0.775281
122 PAJ 0.421429 0.875
123 48N 0.42 0.822222
124 3OD 0.41958 0.818182
125 AGS 0.41791 0.8
126 SAP 0.41791 0.8
127 ATR 0.41791 0.772727
128 OAD 0.415493 0.818182
129 ADP 0.412214 0.795455
130 ADQ 0.411348 0.797753
131 A2R 0.410072 0.806818
132 TXA 0.409722 0.808989
133 F2R 0.407643 0.857143
134 NA7 0.405594 0.829545
135 BA3 0.40458 0.775281
136 ATP 0.402985 0.795455
137 HEJ 0.402985 0.795455
138 B4P 0.401515 0.775281
139 AP5 0.401515 0.775281
140 AQP 0.4 0.795455
141 2A5 0.4 0.818182
142 APR 0.4 0.795455
143 AR6 0.4 0.795455
144 APU 0.4 0.76087
145 5FA 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1on3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1ON3; Ligand: MCA; 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: 1on3.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1ON3; Ligand: DXX; 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: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 1on3.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 1on3.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 1on3.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 1on3.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 1on3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 29) in the query (biounit: 1on3.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 30; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 1on3.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 1on3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 1on3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 33) in the query (biounit: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 1ON3; Ligand: DXX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 34) in the query (biounit: 1on3.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 1on3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 1ON3; Ligand: MCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 1on3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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