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Receptor
PDB id Resolution Class Description Source Keywords
1SGJ 1.84 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT DEINOCOCCUS RADIODURANS CITRATE LYASE BETA SUBUNIT TRIMER TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:286;
B:286;
C:286;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OAA A:285;
B:285;
C:285;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
131.064 C4 H3 O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SGJ 1.84 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT DEINOCOCCUS RADIODURANS CITRATE LYASE BETA SUBUNIT TRIMER TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OAA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OAA 1 1
2 MLI 0.5 0.666667
3 3PY 0.428571 0.681818
4 2KT 0.409091 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SGJ; Ligand: OAA; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2QO4 CHD None
2 1LNX URI None
3 5HV0 AKG 0.921659
4 1Y0G 8PP 1.05634
5 2V58 LZJ 1.40845
6 5DRB 5FJ 1.40845
7 5CEO 50D 1.76056
8 4YZN 4K5 1.76056
9 5EPQ OLA 1.82927
10 1N9L FMN 1.83486
11 3PG7 PTY 1.95312
12 4EN4 GT1 2.11268
13 4EN4 GT0 2.11268
14 4EN4 ATP 2.11268
15 5INJ TRP 2.11268
16 2YVE MBT 2.16216
17 4RF2 NAP 2.20588
18 5YGE ACO 2.29885
19 6CI9 NAP 2.3166
20 1GT4 UNA 2.51572
21 2GQR ADP 2.53165
22 6C6O ENG 2.8169
23 2CDC XYS 2.8169
24 2CDC XYP 2.8169
25 3GDN HBX 2.8169
26 2CDC NAP 2.8169
27 4R38 RBF 2.85714
28 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.04348
29 3I27 SID 3.125
30 4DS8 A8S 3.16901
31 2XK9 XK9 3.16901
32 3AJH BL3 3.16901
33 2XSB GDL 3.16901
34 4IX4 ADP 3.16901
35 3UES DFU 3.16901
36 1KJ8 ATP 3.52113
37 1KJ8 GAR 3.52113
38 2V0U FMN 3.52113
39 2WKQ FMN 3.52113
40 1P7T ACO 3.52113
41 4KBA 1QM 3.52113
42 4UX9 ANP 3.52113
43 1Q8A HCS 3.52113
44 4ITU 1HS 3.71747
45 5H2U 1N1 3.74532
46 3E2M E2M 3.78378
47 5BU3 4W9 3.80435
48 2UXI G50 3.80952
49 2QF7 AGS 3.87324
50 5LUN OGA 3.87324
51 1M7Y PPG 3.87324
52 4B1V LAB 3.87324
53 6GBV FMN 3.87324
54 2D0V PQQ 3.87324
55 5EFQ ADP 3.87324
56 5XQW 8EU 4.14747
57 4K39 SAM 4.22535
58 4K38 SAM 4.22535
59 5F2T PLM 4.22535
60 1SR9 KIV 4.22535
61 2HFN FMN 4.57516
62 1ZSQ PIB 4.57746
63 1XLI GLT 4.82234
64 4GFD 0YB 4.87805
65 5DKK FMN 4.92958
66 1XIM XYL 4.92958
67 5K6N XYP 4.92958
68 1EWF PC1 4.92958
69 4F7E 0SH 5.10204
70 4M69 ANP 5.11182
71 5DS8 GLY 5CT GLY ALA 5.14019
72 2YG2 S1P 5.23256
73 2YG2 FLC 5.23256
74 4KS7 X4Z 5.28169
75 4CRL C1I 5.28169
76 3W9R A8S 5.29101
77 2QTR NXX 5.29101
78 2PVN P63 5.6338
79 5MZI FAD 5.6338
80 5MZI FYK 5.6338
81 6FXR AKG 5.6338
82 1X1Z BMP 5.6338
83 4ORR PE3 5.78947
84 3D78 NBB 5.88235
85 2NXW TPP 5.98592
86 4D1J DGJ 5.98592
87 4EES FMN 6.08696
88 5HZX 2GE 6.25
89 1K7W AS1 6.33803
90 2GTE VA 6.45161
91 5YF9 NIO 6.48968
92 4ELG 52J 6.62651
93 3WYF GTP 6.84932
94 1LOR BMP 7.01754
95 1E2S CSN 7.39437
96 3L02 CP 7.74648
97 4G2R H1L 8.09859
98 3WW2 LPK 8.59375
99 3WW2 SF6 8.59375
100 2ZYF AKG 8.80282
101 5JNN 6LM 8.94737
102 5ZCT ANP 9.15493
103 2YAB AMP 9.15493
104 3W68 VIV 9.3985
105 4CCK OGA 9.50704
106 3OJI PYV 9.52381
107 3NMV PYV 9.55056
108 5OO5 UUA 9.67742
109 5JO1 6LM 9.72973
110 3B0P FMN 9.85915
111 5IXG OTP 10.0592
112 5A0R ACE GLU VAL ASN PRO 10.101
113 3BRN SRO 10.1911
114 3OYZ ACO 10.5634
115 2Z77 HE7 12.2302
116 2Z77 NCA 12.2302
117 4P7X YCP 12.6761
118 4P7X AKG 12.6761
119 4RGQ NDP 12.6761
120 1QY1 PRZ 13.2184
121 3Q8G PEE 13.7324
122 2PR5 FMN 14.3939
123 2Z6D FMN 14.6154
124 3C3N FMN 15.0641
125 5DJU FMN 21.3115
126 1DE6 RNS 22.5352
127 5DJT FMN 26.2295
128 5EFW FMN 26.6667
129 4L80 1VU 45.4225
130 1Z6K OAA 47.5352
Pocket No.: 2; Query (leader) PDB : 1SGJ; Ligand: OAA; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6E2B PT7 None
2 1TKB N1T 1.76056
3 1U5R ATP 1.76056
4 3M2W L8I 1.76056
5 5IXH OTP 1.86335
6 1SQI 869 2.11268
7 4GCZ FMN 2.11268
8 2E3N 6CM 2.35294
9 3G5N PB2 2.46479
10 5UIU 8CG 2.46479
11 3C2O NTM 2.46479
12 1PK8 ATP 2.46479
13 1UJP CIT 2.58303
14 1VL0 NAI 2.8169
15 1LBF 137 2.83401
16 3SAO NKN 3.125
17 4P8K FAD 3.16901
18 4P8K 38C 3.16901
19 1OLM VTQ 3.16901
20 5FBN 5WF 3.32103
21 1MH5 HAL 3.52113
22 5LI1 ANP 3.52113
23 4Q3S X7A 3.52113
24 1ZHX HC3 3.87324
25 3ILR SGN IXD 3.87324
26 2WEL K88 3.87324
27 4OIC A8S 4.22535
28 2VQD AP2 4.22535
29 5HQ0 LZ9 4.57746
30 3BU5 ATP 4.90196
31 1PHK ATP 4.92958
32 5T8O 76Z 5.6338
33 1YMT DR9 6.33803
34 1I06 TZL 6.66667
35 1OX5 1PR 6.69014
36 2GFD RDA 6.77966
37 2R5T ANP 7.04225
38 6H1U ASP 7.39437
39 1V8B ADN 8.4507
40 6AMI TRP 10.5634
41 3T50 FMN 14.0625
42 3A23 GAL 15.8451
43 3G08 FEE 22.2222
Pocket No.: 3; Query (leader) PDB : 1SGJ; Ligand: OAA; Similar sites found with APoc: 21
This union binding pocket(no: 3) in the query (biounit: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1OGX EQU None
2 5XFV FMN 1.05634
3 3VRY B43 1.76056
4 6ES0 BW8 2.11268
5 3DAK ANP 2.46479
6 1LLO NAA NAA AMI 2.5641
7 4PSB GA3 2.58065
8 5MJA 7O3 2.8169
9 6C1S EFV 2.8169
10 4ITH RCM 2.8169
11 5FLJ QUE 3.76344
12 4O1Z MXM 4.22535
13 4RNV FMN 4.57746
14 4MIG G3F 4.92958
15 2JIG PD2 5.98592
16 2GOO NDG 7.63359
17 3A76 SPD 8.52273
18 2XIQ MLC 10.2113
19 1R6D NAD 10.5634
20 3FON VAL ASN ASP ILE PHE GLU ALA ILE 23
21 1T36 ADP 23.9437
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