-->
Receptor
PDB id Resolution Class Description Source Keywords
2G2Y 2.26 Å EC: 2.3.1.39 STRUCTURE OF E.COLI FABD COMPLEXED WITH MALONATE ESCHERICHIA COLI COMPLEX TRANSFERASE
Ref.: MAPPING THE ACTIVE SITE OF ESCHERICHIA COLI MALONYL CARRIER PROTEIN TRANSACYLASE (FABD) BY PROTEIN CRYSTALLOGRAPHY. ACTA CRYSTALLOGR.,SECT.D V. 62 613 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1001;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G2Y 2.26 Å EC: 2.3.1.39 STRUCTURE OF E.COLI FABD COMPLEXED WITH MALONATE ESCHERICHIA COLI COMPLEX TRANSFERASE
Ref.: MAPPING THE ACTIVE SITE OF ESCHERICHIA COLI MALONYL CARRIER PROTEIN TRANSACYLASE (FABD) BY PROTEIN CRYSTALLOGRAPHY. ACTA CRYSTALLOGR.,SECT.D V. 62 613 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2G2Y - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2G2Y - MLI C3 H2 O4 C(C(=O)[O-....
50% 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 2G2Y - MLI C3 H2 O4 C(C(=O)[O-....
2 6APF - CIT C6 H8 O7 C(C(=O)O)C....
3 6APG - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G2Y; Ligand: MLI; Similar sites found with APoc: 128
This union binding pocket(no: 1) in the query (biounit: 2g2y.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHT TSA None
2 4O4K 2PK 0.974026
3 3ROE THM 1.50943
4 5N17 8FK 1.62338
5 6GNA FAD 1.73611
6 3U40 ADN 2.06612
7 1KPH 10A 2.09059
8 4ZXF 4S7 2.27273
9 2NP9 YE1 2.27273
10 2V7Y ADP 2.27273
11 4CZG ADP 2.27273
12 4CZG QH3 2.27273
13 5HK9 64O 2.32558
14 3VC1 SAH 2.5974
15 1NW4 IMH 2.89855
16 1LBT T80 2.92208
17 5LP1 71H 2.92208
18 5LJW ANP 2.92208
19 3QKT ANP 2.92208
20 4C2G ALA ALA ALA ALA 2.92208
21 6G3R ADP 2.92208
22 6EWR PMP 2.92208
23 2C49 ANP 2.98013
24 5XH2 NPO 3.05344
25 4RPO T6C 3.13901
26 4OB6 S2T 3.24675
27 3KVY R2B 3.24675
28 4JNE ATP 3.24675
29 3VYW SAM 3.24675
30 3G6K POP 3.24675
31 3G6K FAD 3.24675
32 1A8U BEZ 3.2491
33 1JXZ BCA 3.34572
34 1NZY BCA 3.34572
35 4UHF BUA 3.5461
36 5EB4 FAD 3.57143
37 3KV8 FAH 3.59712
38 1MJH ATP 3.7037
39 1GT6 OLA 3.71747
40 3V49 PK0 3.7594
41 1QG6 NAD 3.83142
42 1QG6 TCL 3.83142
43 1LLF F23 3.8961
44 4PKG ATP 3.8961
45 6IKG MET ALA ALA 3.8961
46 4Z94 ATP 3.8961
47 2FXU ATP 3.8961
48 2V51 ATP 3.8961
49 4B1V ATP 3.8961
50 1SQK ADP 3.8961
51 2A40 ATP 3.8961
52 2Q97 ATP 3.8961
53 2B5W NAP 3.8961
54 2A3Z ATP 3.8961
55 3U9Z ADP 3.8961
56 4PL8 ATP 4.10959
57 3QM1 ZYC 4.15094
58 1KXP ATP 4.22078
59 6G9I CXX 4.22078
60 5DEX 5E0 4.24028
61 1IUP ALQ 4.25532
62 2WKW W22 4.54545
63 1YKD CMP 4.54545
64 4X7R 3YW 4.54545
65 4X7R UDP 4.54545
66 3WDM ADN 4.5977
67 6F4W FMC 4.72103
68 3A4T SFG 4.74453
69 1V59 FAD 4.87013
70 1P7L PPK 4.87013
71 1P7L MET 4.87013
72 1P7L ANP 4.87013
73 1P7L SAM 4.87013
74 5ZUN 9JX 4.91803
75 5AE2 FAD 5.19481
76 5AE2 FYC 5.19481
77 1XPM HMG 5.19481
78 1KPG 16A 5.22648
79 3L9R L9Q 5.30035
80 1F2U ATP 5.40541
81 4CFS HQD 5.51948
82 4U7W NDP 5.51948
83 1FP6 ADP 5.53633
84 5BXQ GDP 5.55556
85 2WPW ACO 5.60472
86 5BNW 12V 5.84416
87 4GYW UDP 5.84416
88 4MYD 164 5.95238
89 1ODJ GMP 5.95745
90 4GNI ATP 6.16883
91 1WUU ANP 6.16883
92 3N8K D1X 6.39535
93 3MN7 ATP 6.49351
94 5ZRR 9J3 6.49351
95 3MN9 ATP 6.49351
96 4RHE FMN 6.69856
97 1A8S PPI 6.95971
98 1K4M NAD 7.04225
99 2ZL4 ALA ALA ALA ALA 7.14286
100 4ZOH FAD 7.14286
101 5EXW 7DT 7.14286
102 3HRD FAD 7.46753
103 4G9E C4L 7.52688
104 4H03 ATP 8.11688
105 4QIJ 1HA 8.76623
106 5Y2W PGA 8.97436
107 1XRO LEU 9.21502
108 3U4L ATP 9.28571
109 4EFH ADP 9.74026
110 1YAG ATP 9.74026
111 2HK9 ATR 9.74026
112 3FWN 6PG 10.0649
113 5CXX FER 10.5455
114 2PD4 NAD 10.5455
115 2PD4 DCN 10.5455
116 1VHW ADN 10.6719
117 4LXH C1E 10.8303
118 4Q9M 2ZW 11.039
119 4Q9M FPP 11.039
120 4WZ8 3W7 11.039
121 2GAG NAD 11.039
122 3T3C 017 11.1111
123 2IZ1 RES 12.013
124 2IZ1 ATR 12.013
125 3NRZ HPA 12.8049
126 2PBD ATP 13.9535
127 2QXL ATP 16.8831
128 3T12 GDP ALF 21.4286
APoc FAQ
Feedback