-->
Receptor
PDB id Resolution Class Description Source Keywords
1Z6K 2.3 Å EC: 4.1.3.6 CITRATE LYASE BETA SUBUNIT COMPLEXED WITH OXALOACETATE AND M FROM M. TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITTB STRUCTURAL GENOMICS CONSORTIUM TBSGC LYASE
Ref.: THE STRUCTURE AND COMPUTATIONAL ANALYSIS OF MYCOBAC TUBERCULOSIS PROTEIN CITE SUGGEST A NOVEL ENZYMATIC FUNCTION. J.MOL.BIOL. V. 365 275 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:275;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
OAA A:274;
Valid;
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
1Z6K 2.3 Å EC: 4.1.3.6 CITRATE LYASE BETA SUBUNIT COMPLEXED WITH OXALOACETATE AND M FROM M. TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITTB STRUCTURAL GENOMICS CONSORTIUM TBSGC LYASE
Ref.: THE STRUCTURE AND COMPUTATIONAL ANALYSIS OF MYCOBAC TUBERCULOSIS PROTEIN CITE SUGGEST A NOVEL ENZYMATIC FUNCTION. J.MOL.BIOL. V. 365 275 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Z6K - OAA C4 H3 O5 C(C(=O)C(=....
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 1Z6K - OAA C4 H3 O5 C(C(=O)C(=....
2 1U5V - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
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 1Z6K - OAA C4 H3 O5 C(C(=O)C(=....
2 1U5V - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
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 : 1Z6K; Ligand: OAA; Similar sites found with APoc: 163
This union binding pocket(no: 1) in the query (biounit: 1z6k.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOJ ADP ALF None
2 1LFO OLA None
3 3P7N FMN 1.02389
4 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 1.36519
5 5T9F TYR 1.47601
6 2Z6C FMN 1.55039
7 4Y9J UCC 1.70648
8 1YNH SUO 1.70648
9 2HOX P1T 1.70648
10 7CPA FVF 1.70648
11 6B5G NAD 1.70648
12 4EES FMN 1.73913
13 1SW1 PBE 1.81818
14 5OMY 9YE 2.04778
15 5XFV FMN 2.04778
16 3C3N FMN 2.04778
17 1FC4 AKB PLP 2.04778
18 4RSL FAD 2.04778
19 2WVZ KIF 2.04778
20 1VBH PEP 2.04778
21 6F3M ADN 2.04778
22 1TIP F6P 2.09424
23 2PR5 FMN 2.27273
24 3REU ATP 2.38908
25 1P7L PPK 2.38908
26 2G50 PYR 2.38908
27 1P7L SAM 2.38908
28 1P7L ANP 2.38908
29 1P7L MET 2.38908
30 5A1T OXM 2.38908
31 5A1T NAI 2.38908
32 2HW1 FRU 2.38908
33 3OND NAD 2.38908
34 3OND ADN 2.38908
35 1UMP SQA 2.38908
36 4KCT PYR 2.38908
37 4UUG PXG 2.40964
38 6ESN BWE 2.62172
39 5APK 76E 2.64151
40 5OJI NAP 2.69231
41 4QLX KTC 2.73038
42 5K4W THR 2.73038
43 5K4W NAI 2.73038
44 4QLX FMN 2.73038
45 4GCZ FMN 2.73038
46 1YB5 NAP 2.73038
47 4U63 FAD 2.73038
48 3AKK ADP 2.73038
49 5GUE GGS 2.73038
50 4B5W PYR 2.73438
51 2FR6 CTN 2.73973
52 2FR6 URI 2.73973
53 2Y7P SAL 2.75229
54 3NMV PYV 2.80899
55 5A0R ACE GLU VAL ASN PRO 3.0303
56 5ABH YWN 3.07167
57 5ABF XRJ 3.07167
58 2CHN NGT 3.07167
59 4WVO 3UZ 3.07167
60 3MAG SAH 3.07167
61 3IPQ 965 3.18021
62 1QIN GIP 3.27869
63 3OBK PBG 3.41297
64 5M67 NAD 3.41297
65 5MDH NAD 3.41297
66 5M67 3D1 3.41297
67 2V5K OXM 3.41297
68 5M67 ADE 3.41297
69 4MDH NAD 3.41297
70 5NUF NAD 3.41297
71 6GBV FMN 3.42466
72 3OJI PYV 3.7037
73 1DQX BMP 3.74532
74 4AUA 4AU 3.75427
75 1B8U NAD 3.75427
76 4QDC ASD 3.75427
77 2BRY FAD 3.75427
78 4K38 SAM 3.75427
79 5ZCT ANP 3.75427
80 1SU2 ATP 3.77358
81 2QO4 CHD 3.96825
82 1IDA 0PO 4.0404
83 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 4.0724
84 2GRU NAD 4.09556
85 3GFZ FMN 4.09556
86 2R2N KYN 4.09556
87 1JQ3 AAT 4.09556
88 4AZJ SEP PLP 4.09556
89 5FQD LVY 4.09556
90 4R38 RBF 4.28571
91 1DTL BEP 4.34783
92 2BYC FMN 4.37956
93 1IZC PYR 4.43686
94 2YBQ SAH 4.43686
95 1PVN MZP 4.43686
96 5EXE 5SR 4.43686
97 6AIN FAD 4.43686
98 3R35 4CO 4.63576
99 3T50 FMN 4.6875
100 4AK7 47N 4.77816
101 3ETG NDP 4.77816
102 3ETG GLU 4.77816
103 2CVQ NDP 4.77816
104 3DLS ADP 4.77816
105 3HQP ATP 4.77816
106 2PWG CTS 4.77816
107 2V0U FMN 4.79452
108 3TTI KBI 4.9569
109 3W9R A8S 5.29101
110 6D6L FY4 5.29412
111 2WKQ FMN 5.42169
112 1P7T ACO 5.46075
113 5G3N X28 5.51181
114 6C6O ENG 5.80205
115 1V7C HEY 5.80205
116 5HQ0 LZ9 5.95238
117 5T9C G3P 5.97015
118 2EFX NFA 6.14334
119 2J62 GSZ 6.14334
120 2Q8Z NUP 6.14334
121 4XRZ SI6 6.14334
122 2WD7 NAP 6.14334
123 1BGQ RDC 6.22222
124 2JAJ D20 6.22837
125 1M5W DXP 6.58436
126 3AJH BL3 6.82594
127 2VK4 TPP 6.82594
128 3HRD MCN 6.875
129 3FPF MTA 7.16724
130 3FPF TNA 7.16724
131 5L4L NAP 7.16724
132 4CM9 NAP 7.29167
133 5JDC NAP 7.29167
134 5JCJ NAP 7.29167
135 5JDI NAP 7.29167
136 4CM4 NAP 7.29167
137 3BMO NAP 7.29167
138 3KDJ A8S 7.50853
139 3JRS A8S 7.50853
140 3BLI ACO 8.19113
141 3BLI PYR 8.19113
142 1V8B ADN 8.19113
143 1PMO PLR 8.19113
144 5DJT FMN 8.19672
145 3O0G 3O0 8.21918
146 3WMX NAD 8.53242
147 3OYZ ACO 8.87372
148 2VWT PYR 9.3633
149 1YRX FMN 9.91736
150 1H5T DAU 10.5802
151 5IWQ PLP 10.9215
152 2I6A 5I5 10.9215
153 2D0V PQQ 11.1111
154 1OLS TDP 11.6041
155 6GG9 FMN 11.7284
156 1OGZ EQU 12
157 1NWW HPN 13.4228
158 4NDN SAM 13.9319
159 4L80 1VU 38.5666
160 4L80 OXL 38.5666
161 4L9Z COA 45.3925
162 4L9Z OXL 45.3925
163 1SGJ OAA 47.5352
Pocket No.: 2; Query (leader) PDB : 1Z6K; Ligand: OAA; 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: 1z6k.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Z6K; Ligand: OAA; 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: 1z6k.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback