-->
Receptor
PDB id Resolution Class Description Source Keywords
1RQH 2 Å EC: 2.1.3.1 PROPIONIBACTERIUM SHERMANII TRANSCARBOXYLASE 5S SUBUNIT BOUN PYRUVIC ACID PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII TIM-BARREL CARBAMYLATED LYSINE TRANSCARBOXYLASE COBALT PACID TRANSFERASE
Ref.: TRANSCARBOXYLASE 5S STRUCTURES: ASSEMBLY AND CATALY MECHANISM OF A MULTIENZYME COMPLEX SUBUNIT. EMBO J. V. 23 3621 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:601;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
PYR A:602;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RQH 2 Å EC: 2.1.3.1 PROPIONIBACTERIUM SHERMANII TRANSCARBOXYLASE 5S SUBUNIT BOUN PYRUVIC ACID PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII TIM-BARREL CARBAMYLATED LYSINE TRANSCARBOXYLASE COBALT PACID TRANSFERASE
Ref.: TRANSCARBOXYLASE 5S STRUCTURES: ASSEMBLY AND CATALY MECHANISM OF A MULTIENZYME COMPLEX SUBUNIT. EMBO J. V. 23 3621 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RQH; Ligand: PYR; Similar sites found with APoc: 111
This union binding pocket(no: 1) in the query (biounit: 1rqh.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 4X7R 3YW 1.41988
3 4X7R UDP 1.41988
4 2GVJ DGB 1.42566
5 3FWN ATR 1.45833
6 3FWN 6PG 1.45833
7 4Y9J UCC 1.48423
8 6FQZ 6PG 1.49573
9 3RWP ABQ 1.60772
10 3CQD ATP 1.61812
11 2IZ1 RES 1.89873
12 4I3V NAD 2.04918
13 2WPX ACO 2.35988
14 2WPW ACO 2.35988
15 3EFV NAD 2.38095
16 4QIJ 1HA 2.39521
17 5FP4 YC8 2.39521
18 4I42 1HA 2.45614
19 5GVL GI8 2.48869
20 5GVL PLG 2.48869
21 5FP3 3JI 2.54902
22 4AVO BGC BGC BGC BGC BGC BGC 2.61905
23 2ZI8 SDT 2.66667
24 5U3F 7TS 2.71739
25 5KF9 ACO 2.7439
26 6CE2 SVR 3.30579
27 2VFT SOR 3.31754
28 3FP0 FP0 3.46821
29 3RGA LSB 3.53357
30 5K21 6QF 3.5461
31 4UAL 3FV 3.57995
32 2JAH NDP 3.64372
33 2JAP NDP 3.64372
34 4NSQ COA 3.68421
35 1WW5 SGA BGC 3.75
36 3FW9 SLX 3.83838
37 3D2M COA 3.94737
38 2ZYI STE 4
39 1NZY BCA 4.08922
40 1JXZ BCA 4.08922
41 2LBD REA 4.11985
42 1XAP TTB 4.11985
43 1CM0 COA 4.16667
44 5LPZ ADP 4.21687
45 4GGZ BTN 4.34783
46 1I1D 16G 4.34783
47 3BRN SRO 4.4586
48 1FCZ 156 4.68085
49 1KGI T4A 4.72441
50 1J3R 6PG 4.73684
51 2ZPA ACO 4.82375
52 1X0P FAD 4.8951
53 1SR9 KIV 5.00928
54 3TO7 COA 5.07246
55 4PZ2 NAD 5.24345
56 4U9W COA 5.31401
57 2WKQ FMN 5.42169
58 3P7N FMN 5.42636
59 1KDK DHT 5.64972
60 2Z3U CRR 5.88235
61 1PGP 6PG 6.0166
62 5FVJ ACO 6.0241
63 6A1G 9OL 6.11111
64 1OE0 TTP 6.52174
65 1QSM ACO 6.57895
66 1TIQ COA 6.66667
67 4H6Q TFB 6.73077
68 2PR5 FMN 6.81818
69 4LSJ LSJ 6.97674
70 2GC0 PAN 7.44681
71 2YG2 FLC 7.55814
72 4XTX 590 7.77778
73 5G5G MCN 7.86026
74 5JSP DQY 7.9602
75 1QY1 PRZ 8.04598
76 3AMN CBK 8.30189
77 3AMN CBI 8.30189
78 4ZOH MCN 8.33333
79 2Z6D FMN 8.46154
80 3MI3 LYS 8.51064
81 1DZK PRZ 8.9172
82 5A3T MMK 8.93971
83 2ZYF AKG 9.1623
84 6GG9 FMN 9.25926
85 4GJ3 0XP 9.27644
86 4K3H 1OM 9.32203
87 3OZ2 OZ2 10.0756
88 5LS7 ACO 10.219
89 3M3R BCD 10.2389
90 1PUA COA 10.4294
91 5SVV FMN 10.9489
92 5DKK FMN 11.7241
93 5ODQ 9SB 12.5
94 3U6W KIV 12.6464
95 4EWN 0VR 13.834
96 1NVM OXL 14.4928
97 3BLI ACO 14.5401
98 3BLI PYR 14.5401
99 1N71 COA 15
100 2V0U FMN 17.8082
101 5DJT FMN 17.931
102 5DJU FMN 17.931
103 5EFW FMN 17.931
104 3NMV PYV 18.2099
105 3E2M E2M 18.3784
106 2BYC FMN 24.8175
107 4EES FMN 27.8261
108 4AG9 COA 28.4848
109 4JN6 OXL 31.7919
110 5HQ8 SAH 37.5
111 4LOC OXM 47.1243
Pocket No.: 2; Query (leader) PDB : 1RQH; Ligand: PYR; 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: 1rqh.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback