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Receptor
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T5K E:500;
C:500;
G:500;
F:500;
D:500;
B:500;
H:500;
A:500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
none;
Atoms found LESS than expected: % Diff = 0;
none;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
none;
submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T5K; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 T5K 1 1
2 T4K 1 1
3 TQP 0.830645 0.987805
4 7SG 0.830645 0.987805
5 TRH 0.603306 0.890244
6 1JB 0.603306 0.890244
7 18T 0.603306 0.890244
8 0FX 0.584 0.891566
9 4TG 0.578125 0.902439
10 T3Q 0.568 0.891566
11 T3F 0.568 0.891566
12 DAU 0.56 0.86747
13 MMF 0.559055 0.891566
14 FNF 0.55814 0.902439
15 1YF 0.55814 0.902439
16 T46 0.551181 0.890244
17 QDM 0.550388 0.858824
18 4RA 0.549669 0.926829
19 TDX 0.539683 0.878049
20 3R2 0.515625 0.857143
21 0N2 0.515385 0.880952
22 FUH 0.514493 0.891566
23 QUH 0.514493 0.891566
24 TTP 0.508333 0.853659
25 TYD 0.5 0.853659
26 DWN 0.496183 0.869048
27 3YN 0.496183 0.86747
28 UD0 0.475 0.915663
29 TMP 0.470085 0.841463
30 JHZ 0.467153 0.848837
31 AKM 0.467153 0.872093
32 TLO 0.461538 0.878049
33 O1G 0.456693 0.719512
34 T5A 0.42 0.852273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 169
This union binding pocket(no: 1) in the query (biounit: 4zah.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5DNC ASN 1.26263
2 3BWN PMP 1.27877
3 3BWN PMP PHE 1.27877
4 4R8L ASP 1.2987
5 2CJH AKG 1.51515
6 4JE5 PLP 1.51515
7 4JE5 PMP 1.51515
8 2VHL GLP 1.51515
9 3ZRR PXG 1.5625
10 6DND PLP 1.76768
11 1AJS PLA 1.76768
12 3B9Z CO2 1.80412
13 1M32 PLP 1.91257
14 1GEX PLP HSA 1.96629
15 4JUI EGR 2.0202
16 1UU1 PMP HSA 2.08955
17 3CQ5 PMP 2.16802
18 2ZYJ PGU 2.267
19 1DFO PLG 2.27273
20 4UOX PLP 2.27273
21 4ZM4 PLP 2.27273
22 4UOX PUT 2.27273
23 4UOX PLP PUT 2.27273
24 4I9B 1KA 2.27273
25 1ZC9 PMP 2.27273
26 2OAT PFM 2.27273
27 1RJW ETF 2.35988
28 5O22 C3R 2.42215
29 2OG2 MLI 2.50696
30 2X5F PLP 2.52525
31 1DJ9 KAM 2.60417
32 4ADC PLP 2.70936
33 2R2N PMP 2.77778
34 3BS8 PMP 2.77778
35 2R2N KYN 2.77778
36 1K4M CIT 2.8169
37 6ECG PM9 3.0303
38 5FAG PPI 3.0303
39 1WYV PLP AOA 3.0303
40 2TPL HPP 3.0303
41 1VJO PLP 3.05344
42 5DDW 5B6 3.05927
43 1Z0N BCD 3.125
44 1HGX 5GP 3.27869
45 1JS3 PLP 142 3.28283
46 5GVL PLG 3.28283
47 5GVL GI8 3.28283
48 5ME4 HP4 3.28467
49 3MBI HSX 3.48432
50 1TOI HCI 3.53535
51 2P1E LAC 3.53698
52 5V8E CIT 3.55987
53 4BA5 PXG 3.78788
54 5IWQ PLP 3.78788
55 5M3Z PLP 3.78788
56 5M3Z PY6 3.78788
57 1MXG ACR 3.78788
58 5M3Z NLE 3.78788
59 3FQ8 PMP 3.78788
60 3EI9 PL6 3.93519
61 2JK0 ASP 4
62 2FYF PLP 4.0201
63 1E5F PLP 4.0404
64 4ZSY RW2 4.0404
65 6CD1 PLS 4.0404
66 6CD1 PLG 4.0404
67 4WXG 2BO 4.29293
68 5W19 9TD 4.29293
69 2PS1 ORO 4.42478
70 3A8U PLP 4.54545
71 5G09 6DF 4.54545
72 1QK3 5GP 4.72103
73 5TXR PLP 4.79798
74 4E3Q PMP 4.79798
75 1GPM CIT 4.79798
76 4FL0 PLP 4.79798
77 3OZG SSI 4.8
78 2Z9V PXM 4.84694
79 2WK9 PLG 5.14139
80 4AOA IK2 5.30303
81 5KGS 6SR 5.30303
82 4P86 5GP 5.46448
83 3ACC 5GP 5.52486
84 3PDB PMP 5.55556
85 1OXO IK2 5.55556
86 3PD6 PMP 5.55556
87 2HIM ASN 5.86592
88 1MZV AMP 5.95745
89 3GXO MQA 5.96206
90 4P83 U5P 6.04396
91 1U6R IOM 6.05263
92 5YKT PMP 6.06061
93 4RJD TFP 6.06061
94 1W6F ISZ 6.11511
95 4M2K PLP 6.31313
96 1MLY ACZ PLP 6.31313
97 5G4J EXT 6.31313
98 6CBO DOW 6.31313
99 3VP6 HLD 6.31313
100 1QB7 ADE 6.35593
101 4UHO PLP 6.56566
102 3H2K BOG 6.56566
103 1CL2 PPG 6.58228
104 1LW4 PLP 6.62824
105 1LW4 TLP 6.62824
106 2JBH 5GP 6.66667
107 6FYQ PLP 6.81818
108 4RKC PMP 6.81818
109 4IY7 KOU 6.81818
110 4IYO 0JO 6.81818
111 4IY7 0JO 6.81818
112 4B98 PXG 6.81818
113 1LC8 33P 6.81818
114 3ZQE DXC 6.81818
115 5C8W PCG 6.99301
116 4R5Z PMP 7.08447
117 3L6C MLI 7.37463
118 4LAY I63 7.5
119 6C92 EQJ 7.71277
120 3BGD PM6 8.07692
121 5C79 PBU 8.66667
122 1PMO PLR 8.83838
123 2JKY 5GP 9.09091
124 1PZM 5GP 9.47867
125 1UPR 4IP 9.7561
126 5VEQ PMP 9.84848
127 1SFF IK2 9.84848
128 2R5E QLP 10.101
129 2R5C C6P 10.101
130 5WYF ILP 10.3535
131 5X30 4LM 10.8586
132 5X30 7XF 10.8586
133 5X2Z 3LM 10.8586
134 4AVV CD 11.2745
135 3WGC PLG 11.4369
136 2HOX P1T 11.6162
137 1GCK ASP PLP 11.9481
138 1ELU PDA 12.5641
139 1ELU CSS 12.5641
140 4E1O PLP PVH 13.1313
141 4HVK PMP 14.1414
142 4WOH 4NP 14.4578
143 1XI9 PLP 14.899
144 1GDE GLU PLP 15.1671
145 1FC4 AKB PLP 15.9601
146 2ZC0 PMP 16.9192
147 4LNL PLG 24.024
148 4LNL 2BK 24.024
149 4LNL 2BO 24.024
150 2V57 PRL 24.7368
151 2FNU PMP UD1 28
152 1U08 PLP 29.2929
153 3B8X G4M 29.4872
154 5W70 9YM 32.8283
155 5U23 TQP 32.9843
156 5K8B PDG 34.596
157 1O69 X04 34.7716
158 2PO3 T4K 37.6263
159 1B9I PXG 37.6289
160 2OGA PGU 38.8889
161 5W71 PLP 40.6566
162 5W71 9YM 40.6566
163 4K2M O1G 43.1818
164 3NUB UD0 43.454
165 6EWR PMP 44.9495
166 3FRK TQP 45.5764
167 3DR4 G4M 47.8261
168 1MDZ PLP 47.8372
169 1MDZ DCS 47.8372
Pocket No.: 2; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 4zah.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6HL7 CP 0.862069
2 3JQ3 ADP 1.36612
3 4UCI ADN 2.77778
4 4QGE 35O 3.78788
5 6BYF CIT 4.11765
6 1K12 FUC 5.06329
7 3I7V ATP 7.46269
8 5AHO TLA 7.7381
9 1P19 IMP 8.1448
Pocket No.: 3; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 4zah.bio4) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2XN5 FUN 1.71429
2 1TW4 CHD 4
3 4WES HCA 4.29293
4 4G9N NGA 4.8951
5 1GPJ CIT 5.05051
6 1K1Y MAL 5.30303
7 6FU4 HSM 5.50725
8 2Y9G LBT 6
9 2Y9G LAT 6
10 1VRP IOM 6.03675
11 1U6R ADP 6.05263
12 1A5V Y3 6.32911
13 3ITJ CIT 7.69231
14 4I4S LAT 9.58904
15 3JZ0 CLY 16.3763
16 4WGF HX2 19.0244
Pocket No.: 4; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 4zah.bio4) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2JBM SRT 2.34114
2 3SHR CMP 3.01003
3 5LV1 78T 4.64286
4 3NB0 G6P 5.30303
5 2DVZ GLU 6.06061
6 4ZNO SUC 6.26866
7 6GK6 MYR 6.31313
8 1NKI PPF 6.66667
9 3N8K D1X 6.97674
10 4WOE ADP 7.07071
11 5LPG 71V 7.31707
12 4XZ6 TMO 7.9646
13 3QUG GIX 15.873
Pocket No.: 5; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 8
This union binding pocket(no: 5) in the query (biounit: 4zah.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2FVK DUC 1.51515
2 1OFZ FUC 1.60256
3 1OFZ FUL 1.60256
4 6A4R ASP 4.5283
5 4R9F BMA BMA 6.56566
6 6C8T EQJ 7.71277
7 1XHL TNE 8.41751
8 4YEF 4CQ 17.9775
Pocket No.: 6; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 3
This union binding pocket(no: 6) in the query (biounit: 4zah.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2WK9 PLP 5.14139
2 2P4S DIH 6.16622
3 5HUA FK5 6.95652
Pocket No.: 7; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found with APoc: 11
This union binding pocket(no: 7) in the query (biounit: 4zah.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5N17 8FK 2.17391
2 1DRJ RIP 2.21402
3 4ZM4 P3B 2.27273
4 5AEW BNL 2.27273
5 6CBN OZY 2.27273
6 1U26 IHS 2.67062
7 2HHP FLC 3.0303
8 1Z17 ILE 3.19767
9 1DQN IMU 4.34783
10 3VSV XYP 6.31313
11 2WDQ CBE 7.82609
Pocket No.: 8; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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