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Receptor
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HYN A:401;
B:401;
 Valid;
Valid;
 none;
none;
 submit data
100.076 C3 H4 N2 O2 C1C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HYN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HYN 1 1
2 DUC 0.44 0.755556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CL7; Ligand: HYN; Similar sites found with APoc: 139
This union binding pocket(no: 1) in the query (biounit: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5TIV A3P 1.18577
2 3CY2 MB9 1.2987
3 4U7W NDP 1.2987
4 1RM0 NAI 1.62338
5 6CUZ FEV 1.94805
6 2HQM FAD 1.94805
7 5BUK FAD 1.94805
8 6AMI TRP 1.94805
9 4NNB OAA 1.94805
10 4E93 GUI 1.94805
11 5F33 PGH 1.96721
12 6CMJ F6J 2.18069
13 4WHZ 3NL 2.27273
14 2P4S DIH 2.27273
15 4EMI FAD 2.27273
16 3G5S FAD 2.27273
17 2GKS ADP 2.27273
18 3PC3 P1T 2.27273
19 5Z21 NAI 2.27273
20 5KTN 13P 2.30263
21 3ICS FAD 2.5974
22 3ICR FAD 2.5974
23 3NT6 FAD 2.5974
24 5NMX NAP 2.5974
25 1GET NAP 2.5974
26 1Q9I TEO 2.5974
27 1Q9I FAD 2.5974
28 1GET FAD 2.5974
29 3NTA FAD 2.5974
30 6A8H AHR AHR AHR 2.5974
31 1QZZ SAM 2.5974
32 3KCC CMP 2.69231
33 2EWM NAD 2.81124
34 6EKZ SNP 2.92208
35 3ZM6 2GN 2.92208
36 5HM3 649 2.92208
37 3LMS GLY 2.92208
38 1VYP FMN 2.92208
39 1VYP TNF 2.92208
40 6D6L FY4 2.94118
41 4AT3 LTI 3.01003
42 6CI9 NAP 3.0888
43 5OCQ CIT 3.15789
44 3CGD FAD 3.24675
45 3CGD NAD 3.24675
46 4BV6 FAD 3.24675
47 3CGD COA 3.24675
48 2XVE FAD 3.24675
49 2XIQ MLC 3.24675
50 1LVL FAD 3.24675
51 4ZY1 4U5 3.24675
52 3GD4 FAD 3.24675
53 4O1M NAD 3.24675
54 2J5B TYE 3.24675
55 6C2Z P1T 3.24675
56 4C5N PXL 3.26087
57 3JRS A8S 3.36538
58 1KPH SAH 3.48432
59 1L1E SAH 3.48432
60 4NV7 COA 3.52564
61 4M52 M52 3.57143
62 5VN0 FAD 3.57143
63 5VN0 NAI 3.57143
64 5TUK FAD 3.57143
65 2CYB TYR 3.57143
66 2RGO FAD 3.8961
67 5U6C 7YS 3.8961
68 2RGH FAD 3.8961
69 5DVI BGC 3.8961
70 3IAE D7K 3.8961
71 5NUF NAD 3.91566
72 1G2O IMH 4.10448
73 1V7C HEY 4.22078
74 4YKG NAD 4.22078
75 4YKG FAD 4.22078
76 5WYZ 7VF 4.22078
77 2F5Z FAD 4.22078
78 4LOO SB4 4.22078
79 2DKH FAD 4.22078
80 4X7G NAP 4.38247
81 4AZ3 S35 4.51613
82 1Q1R FAD 4.54545
83 2BVL UDP 4.54545
84 2BVL GLC 4.54545
85 1ZM1 BGC BGC BGC 4.56432
86 2CUL FAD 4.74138
87 2X6T NAP 4.87013
88 3QRY DMJ 4.87013
89 1EQ2 NAP 4.87013
90 2O07 SPD 4.93421
91 2O07 MTA 4.93421
92 2BOY BHO 5.11811
93 4R5Z PMP 5.17711
94 3GL0 HXX 5.19481
95 1J0D 5PA 5.19481
96 2FK8 SAM 5.19481
97 2TPS TPS 5.28634
98 2R4J FAD 5.51948
99 2R4J 13P 5.51948
100 4F9C 0SX 5.51948
101 5ETJ IM5 5.84416
102 3TKY SAH 5.84416
103 4A0S NAP 5.84416
104 4TWP AXI 5.90406
105 3EPO MP5 6.16883
106 2RHQ GAX 6.16883
107 1Y0G 8PP 6.80628
108 5UAO FAD 6.81818
109 5IRN ADP 7.14286
110 4WVO 3UZ 7.18232
111 6ES0 BW8 7.46753
112 4ZSI GLP 7.60234
113 1DMH MCT 7.79221
114 3H4T UDP 8.11688
115 3LAD FAD 8.44156
116 4D9C PMP 8.76623
117 4ZM4 P3B 8.76623
118 5TCI 79V 9.09091
119 4EMJ FAD 9.34579
120 3LZW NAP 9.41558
121 3OU2 SAH 9.63303
122 1VD3 U2P 9.67742
123 2B82 ADN 10.4265
124 4PVD NDP 10.7143
125 6GKV SAH 11.039
126 5BVA FAD 11.039
127 1O94 ADP 11.7424
128 5WUW NAP 12.5436
129 1FL2 FAD 13.3117
130 1IR3 ANP 13.3987
131 4J56 FAD 13.6364
132 2RAB FAD 14.2857
133 1YRX FMN 14.876
134 5DJT FMN 16.3934
135 4NG2 OHN 16.8142
136 4OBW SAM 17.5097
137 2CDU FAD 17.5325
138 1RM6 FAD 21.118
139 2WQ4 SFU 28.2051
Pocket No.: 2; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CL7; Ligand: HYN; Similar sites found with APoc: 41
This union binding pocket(no: 5) in the query (biounit: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4D9M 0JO 1.2987
2 2J4D FAD 1.62338
3 6AM8 PLT 1.94805
4 6GAS FAD 2.27273
5 4UIB GWX 2.28013
6 3NTD FAD 2.5974
7 1NP7 FAD 2.5974
8 5KJK 6T1 2.92208
9 5KJK SAM 2.92208
10 3TG5 SAH 2.92208
11 7CPA FVF 2.9316
12 3SXS PP2 2.98507
13 4YZN 4K5 3.13589
14 4AZI OAN 3.24675
15 4S28 SAH 3.57143
16 4S28 AIR 3.57143
17 4M52 FAD 3.57143
18 2WLG SOP 3.72093
19 1H5Q NAP 3.77358
20 2I7C AAT 3.88693
21 5LI9 ACP 3.8961
22 1P4C FMN 3.8961
23 1S7G APR 3.95257
24 3A28 NAD 4.26357
25 2VPQ ANP 4.54545
26 1RBL CAP 4.58716
27 3PVW QRX 5.19481
28 2EFE GNH 5.52486
29 2PCU ASP 5.57377
30 6BXI ANP 5.84416
31 2EG5 XTS 6.49351
32 3ZV6 NAD 6.76157
33 4QYS PLP SEP 6.81818
34 4HIA FMN 6.81818
35 5AXH GLC GLC GLC GLC GLC BGC 7.14286
36 2QE0 NAP 7.46753
37 4ZSI 4R1 7.60234
38 5EYK 5U5 8.47458
39 3RNM FAD 12.069
40 4LA7 A1O 12.9534
41 4CPA GLY 15.7895
Pocket No.: 6; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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