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Receptor
PDB id Resolution Class Description Source Keywords
1TZJ 1.99 Å EC: 3.5.99.7 CRYSTAL STRUCTURE OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMI COMPLEXED WITH D-VINYL GLYCINE PSEUDOMONAS SP. ACCD SUBSTRATE PLP CRYSTAL COMPLEX HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF PSEUDOMONAS 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE COMPLEX INSIGHT INTO THE MECHANISM OF A UNIQUE PYRIDOXAL-5'-PHOSPHATE DEPENDENT CYCLOPROPANE RING-REACTION BIOCHEMISTRY V. 43 13328 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3B A:501;
C:502;
Valid;
Valid;
none;
none;
submit data
101.104 C4 H7 N O2 C=C[C...
PLP A:401;
B:401;
C:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
SO4 B:601;
D:602;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TZJ 1.99 Å EC: 3.5.99.7 CRYSTAL STRUCTURE OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMI COMPLEXED WITH D-VINYL GLYCINE PSEUDOMONAS SP. ACCD SUBSTRATE PLP CRYSTAL COMPLEX HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF PSEUDOMONAS 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE COMPLEX INSIGHT INTO THE MECHANISM OF A UNIQUE PYRIDOXAL-5'-PHOSPHATE DEPENDENT CYCLOPROPANE RING-REACTION BIOCHEMISTRY V. 43 13328 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
2 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
3 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
70% 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 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
6 4D99 - SER C3 H7 N O3 C([C@@H](C....
7 4D9E - LCS C11 H14 N3 O7 P Cc1c(c(c(c....
8 4D97 - DSN C3 H7 N O3 C([C@H](C(....
9 4D96 - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
10 4D9C - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
11 4D9B - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A3B 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TZJ; Ligand: A3B; Similar sites found with APoc: 102
This union binding pocket(no: 1) in the query (biounit: 1tzj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1U8X NAD 1.18343
2 1ZK7 FAD 1.77515
3 1S16 ANP 1.77515
4 2Q3R FMN 1.77515
5 6ES0 BW8 1.89274
6 1OVD FMN 1.92926
7 1OVD ORO 1.92926
8 2VBF TPP 2.07101
9 5MDH NAD 2.1021
10 1EP2 ORO 2.29885
11 4XFR CIT 2.36686
12 5WS9 AMP 2.36686
13 1LL2 UPG 2.4024
14 4RDH AMP 2.43056
15 3DJF BC3 2.43902
16 3C3N FMN 2.5641
17 2GZM DGL 2.62172
18 4JIQ FMN 2.66272
19 4JIQ 1L5 2.66272
20 6F5W KG1 2.66272
21 3V91 UPG 2.74914
22 1M2K APR 2.81124
23 2HK9 NAP 2.90909
24 2R75 01G 2.95858
25 1ZXM ANP 2.95858
26 3R75 BEZ 2.95858
27 3U2U UDP 3.04183
28 1LBZ FBP 3.1746
29 5GVH FMN 3.18471
30 1QZR ANP 3.25444
31 2A92 NAI 3.42679
32 1GA8 UPF 3.53698
33 2NLI FMN 3.5503
34 2NLI LAC 3.5503
35 5ND5 TPP 3.5503
36 1JXZ BCA 3.71747
37 1NZY BCA 3.71747
38 1IG3 VIB 3.80228
39 5WKC TP9 3.84615
40 5WKC AUJ 3.84615
41 3IAE D7K 3.84615
42 2UZ1 TPP 3.84615
43 2OYS FMN 4.14201
44 4DP3 NDP 4.14201
45 4DP3 MMV 4.14201
46 4OOE NDP 4.14201
47 5DY5 5GR 4.27632
48 1LVL FAD 4.43787
49 1IIM TTP 4.45205
50 1O8B ABF 4.56621
51 1DR1 NAP 4.7619
52 1DR1 HBI 4.7619
53 1ME8 RVP 5.02959
54 3H78 BE2 5.02959
55 5GM1 SAH 5.05051
56 4M7V NAP 5.14286
57 5NKB 8ZT 5.22876
58 5ZI2 NAD 5.32544
59 5Y1G AKB 5.4878
60 4POO SAM 5.5
61 2FLI DX5 5.90909
62 4D04 NAP 5.91716
63 4D04 FAD 5.91716
64 4RIF 3R2 5.91716
65 5YSZ CBI 5.91716
66 5K4W THR 5.919
67 4P5E N6P 5.92105
68 1YBH P22 6.21302
69 1JT2 FER 6.34328
70 4CQE CQE 6.47482
71 4LY9 1YY 6.50888
72 4LY9 S6P 6.50888
73 1OJ7 NZQ 6.50888
74 3A4V PYR 6.62461
75 3A4V NAD 6.62461
76 4Z0G 5GP 6.80473
77 2BQP GLC 6.83761
78 1T0S BML 6.97674
79 3VY6 BGC BGC 7.0922
80 2GN3 MAN 7.14286
81 1OLS TDP 7.39645
82 4Q4K FMN 7.39645
83 5ZBC FAD 7.69231
84 2NSJ C2R 8.87574
85 2FWP ICR 9.28962
86 2DRC MTX 9.43396
87 1LVW TYD 10.8475
88 1QPR PPC 13.3803
89 2NUO BGC 14.7541
90 2GUD BMA 14.7541
91 2HYQ MAN MAN 14.7541
92 2GUC MAN 14.7541
93 2NU5 NAG 14.7541
94 2GUD MAN 14.7541
95 2HYR BGC GLC 14.7541
96 2GUE NAG 14.7541
97 2OFV 242 14.8014
98 3ZG6 APR 16.2162
99 4D79 ATP 16.3043
100 6AM8 PLT 26.3314
101 5TCI MLI 26.6272
102 6CUZ FEV 26.9231
Pocket No.: 2; Query (leader) PDB : 1TZJ; Ligand: A3B; Similar sites found with APoc: 110
This union binding pocket(no: 2) in the query (biounit: 1tzj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2QE0 NAP 1.18343
2 2PID YSA 1.18343
3 6HOY TSN 1.65563
4 1YKF NAP 1.77515
5 1C1X NAD 1.77515
6 1BXG NAD 1.77515
7 6GIU L69 1.80505
8 2Z6I FMN 1.80723
9 6ECT SAM 1.86916
10 6FDF SAH 2.09581
11 1F06 2NP 2.1875
12 1F06 NDP 2.1875
13 3RIY NAD 2.1978
14 5U19 827 2.36686
15 5U19 SAH 2.36686
16 2WOX NDP 2.36686
17 3ZFD ANP 2.36686
18 5YFT RI2 2.46914
19 3VPD CIT 2.4911
20 1XCL SAH 2.55319
21 1JG3 ADN 2.55319
22 5HJM MTA 2.66272
23 1G55 SAH 2.66272
24 3SSO SAH 2.66272
25 3HF3 FMN 2.66272
26 2YX1 SFG 2.67857
27 5NUE NAD 2.71084
28 1Z4O GL1 2.71493
29 1LDN NAD 2.8481
30 5WP5 SAH 2.95858
31 1T5B FMN 2.98507
32 2EB5 OXL 2.99625
33 2Z9C DTC 3
34 2Z9C FMN 3
35 9LDB NAD 3.01205
36 9LDT NAD 3.01205
37 1LDM NAD 3.03951
38 6HQD SRT 3.25444
39 1XTP SAI 3.54331
40 1KEV NDP 3.5503
41 2YG3 FAD 3.5503
42 3AXX CBI 3.5503
43 1Z48 FMN 3.5503
44 3WBF API 3.60656
45 1JQ3 AAT 3.71622
46 4A59 AMP 3.84615
47 3ABI NAD 3.84615
48 1T90 NAD 3.84615
49 2HSA FMN 3.84615
50 1QX4 FAD 4.0146
51 1SQS TLA 4.14201
52 4OOE FOM 4.14201
53 1WG8 SAM 4.21053
54 4JSR 1NQ 4.21053
55 5FA8 SAM 4.34783
56 4GQB 0XU 4.43787
57 5N5S NAP 4.43787
58 2Q3O FMN 4.73373
59 3E1T FAD 5.02959
60 2HJR APR 5.18293
61 4BLW AMP 5.53633
62 4BLW SAH 5.53633
63 4N65 FMN 5.66038
64 4N65 AQN 5.66038
65 1XDY MTE 5.7047
66 1NJJ ORX 5.91716
67 3KRU FMN 5.91716
68 5LUN ARG 6.21302
69 6CEP NAD 6.28743
70 6CEP OXM 6.28743
71 4PHR UDP 6.4982
72 5JE8 NAD 6.62252
73 2ED4 FAD 6.71141
74 5DXA SFG 6.80473
75 5DX1 SFG 6.80473
76 5DX8 SFG 6.80473
77 4WAS COO 7.10059
78 4WAS NAP 7.10059
79 2PT9 S4M 7.16511
80 2PT9 2MH 7.16511
81 4C0X FMN 7.38916
82 4C0X AQN 7.38916
83 2BJK NAD 7.39645
84 4EMJ FAD 7.47664
85 1DL5 SAH 7.57098
86 4AF0 IMP 7.69231
87 4OBW SAM 7.7821
88 4H4D 10E 8.04954
89 2I7C AAT 8.12721
90 1VL0 NAI 8.21918
91 3QOX SAH 8.28402
92 3EXH TPP 8.63874
93 4UTG ANP 8.95954
94 4LNU GDP 10.0592
95 1GTE IUR 10.0592
96 1GTE FMN 10.0592
97 5BNS 4VM 10.0946
98 5MGZ SAH 10.1695
99 4QTU SAM 10.3704
100 3HAZ NAD 10.6509
101 5KF6 NAD 11.2426
102 1DCP HBI 11.5385
103 4Y30 49L 12.1302
104 1LES GLC FRU 13.4615
105 3H2B SAH 13.7931
106 1OFS SUC 14.5833
107 3LF0 ATP 14.9123
108 5LXT GDP 16.0839
109 5T52 A2G 17.7686
110 3Q9N COA 27.8481
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