-->
Receptor
PDB id Resolution Class Description Source Keywords
1W62 2.5 Å EC: 5.1.1.4 PROLINE RACEMASE IN COMPLEX WITH ONE MOLECULE OF PYRROLE-2-C ACID (HEMI FORM) TRYPANOSOMA CRUZI (STRAIN CL BRENER) RACEMASE RACEMASE PYRIDOXAL PHOSPHATE-INDEPENDENT STEREO IB-CELL MITOGEN HOMODIMER ALPHA/BETA DOMAINS
Ref.: CRYSTAL STRUCTURE, CATALYTIC MECHANISM, AND MITOGEN PROPERTIES OF TRYPANOSOMA CRUZI PROLINE RACEMASE. PROC. NATL. ACAD. SCI. V. 103 1705 2006 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PYC A:700;
Valid;
none;
Ka = 4600000 M^-1
110.091 C5 H4 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W62 2.5 Å EC: 5.1.1.4 PROLINE RACEMASE IN COMPLEX WITH ONE MOLECULE OF PYRROLE-2-C ACID (HEMI FORM) TRYPANOSOMA CRUZI (STRAIN CL BRENER) RACEMASE RACEMASE PYRIDOXAL PHOSPHATE-INDEPENDENT STEREO IB-CELL MITOGEN HOMODIMER ALPHA/BETA DOMAINS
Ref.: CRYSTAL STRUCTURE, CATALYTIC MECHANISM, AND MITOGEN PROPERTIES OF TRYPANOSOMA CRUZI PROLINE RACEMASE. PROC. NATL. ACAD. SCI. V. 103 1705 2006 U.S.A.
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
2 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
3 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
4 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
2 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
3 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
4 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
2 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
3 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
4 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PYC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W62; Ligand: PYC; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 1w62.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4PIV NDP 1.20773
2 4EI7 GDP 1.54242
3 1WVG APR 1.67131
4 4OUE IPT 1.69082
5 1Z0S ATP 1.79856
6 3RS8 APR 1.93237
7 1SUW NAP 2.00803
8 2REG CHT 2.01342
9 6F97 FAD 2.17391
10 1LLF F23 2.17391
11 4OOE FOM 2.22772
12 5G1N PAL 2.2293
13 3B4Y F42 2.24719
14 1EKX PAL 2.2508
15 1A59 CIT 2.38095
16 5J5Z FAD 2.41546
17 2IV2 2MD 2.657
18 1XDS SAM 2.6738
19 4UTG ANP 2.89017
20 1YQZ FAD 2.89855
21 2NXW TPP 2.89855
22 4GN8 ASO 3.01003
23 3WB0 FEG 3.01205
24 4AUT FAD 3.1401
25 4DXD GDP 3.28283
26 3B9Q MLI 3.31126
27 4LNU GDP 3.38164
28 4LNU GTP 3.38164
29 5EIB GTP 3.38164
30 4X1B MLI 3.38164
31 5TUF FAD 3.42298
32 1NVM NAD 3.47826
33 2PW0 TRC 3.52645
34 5WA0 MSS 3.56164
35 4R38 RBF 3.57143
36 1RPN NDP 3.58209
37 4YKG FAD 3.64683
38 6C4A PYR 3.86473
39 5X1M DHB 3.86473
40 6DAM PQQ 4.10628
41 5EYP GDP 4.14201
42 5EYP GTP 4.14201
43 1X9I G6Q 4.30464
44 3LN9 FLC 4.31655
45 5EB4 FAD 4.34783
46 3EYA TDP 4.34783
47 2GN4 NDP 4.36047
48 6CC0 EWM 4.64135
49 2VAP GDP 4.67033
50 4JZB IPE 4.69613
51 4JZX IPE 4.69613
52 3CTL S6P 4.7619
53 4KBA 1QM 4.83092
54 1U1W 3HA 5.03356
55 1YIQ PQQ 5.07246
56 5JWC FAD 5.31401
57 2IXC TRH 5.44554
58 3KDM TES 5.50459
59 5ITZ GTP 5.51181
60 5ITZ GDP 5.51181
61 6AMI TRP 5.55556
62 5LUN OGA 5.55556
63 2BLE 5GP 5.72207
64 6AM8 PLT 5.7971
65 1RQ2 CIT 6.02094
66 1Z0N BCD 6.25
67 3HRD FAD 6.25
68 6FKW PQQ 6.28019
69 6C2Z P1T 6.4
70 1KJ1 MAN 6.42202
71 3BNK FMN 6.63265
72 1VBO MAN MAN MAN 6.71141
73 3RYC GTP 6.99301
74 3RYC GDP 6.99301
75 5LXT GTP 7.03125
76 5L83 ASP TRP GLU ILE VAL 7.14286
77 1N62 MCN 7.22892
78 1N62 FAD 7.22892
79 2BES RES 7.55814
80 1JS8 MAN MAN BMA 7.61421
81 2OGA PGU 7.76942
82 2F5Z FAD 7.8125
83 2GU8 796 8.01187
84 6F9G PUT 8.09969
85 1NYW DAU 8.12183
86 2HKA C3S 8.46154
87 4ZOH FAD 8.92857
88 3IHG FAD 8.9372
89 1PN0 FAD 9.66184
90 4MN7 SME 10.0671
91 1KDO C 10.1322
92 1D09 PAL 10.4575
93 2R75 01G 10.6509
94 6G9I CXX 10.7143
95 5ZCT ANP 10.7843
96 5HRA DAS 11.9149
97 3R77 QLI 12.4402
98 4USI AKG 13.6364
99 4BWL MN9 14.1447
100 6ASZ GLN THR ALA ARG M3L SER 14.4928
101 4LFL TG6 14.5349
102 3HEE R5P 15.4362
103 1KGI T4A 16.5354
104 3RNM FAD 17.2414
105 3K7S R52 17.3184
APoc FAQ
Feedback