-->
Receptor
PDB id Resolution Class Description Source Keywords
4JZ8 2.1 Å EC: 2.7.2.2 CARBAMATE KINASE FROM GIARDIA LAMBLIA BOUND TO CITRIC ACID GIARDIA LAMBLIA MODIFIED ROSSMANN FOLD ATP CARBAMATE PHOSPHOTRANSFERASE ADCARBAMOYL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CARBAMATE KINASE FROM GIARDIA BOUND WITH CITRIC ACID AND AMP-PNP. PLOS ONE V. 8 64004 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT D:401;
A:401;
C:401;
B:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JZ8 2.1 Å EC: 2.7.2.2 CARBAMATE KINASE FROM GIARDIA LAMBLIA BOUND TO CITRIC ACID GIARDIA LAMBLIA MODIFIED ROSSMANN FOLD ATP CARBAMATE PHOSPHOTRANSFERASE ADCARBAMOYL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CARBAMATE KINASE FROM GIARDIA BOUND WITH CITRIC ACID AND AMP-PNP. PLOS ONE V. 8 64004 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)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 3 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
3 1E19 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WE5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JZ8; Ligand: CIT; Similar sites found with APoc: 198
This union binding pocket(no: 1) in the query (biounit: 4jz8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1S8F GDP 1.12994
2 3PFD FDA 1.57729
3 3WG6 NDP 1.62866
4 5TUF TDC 1.89274
5 4FWE FAD 1.89274
6 3WGT FAD 1.89274
7 3WGT QSC 1.89274
8 5TUF FAD 1.89274
9 1PVN MZP 1.89274
10 5MZI FYK 1.89274
11 5MZI FAD 1.89274
12 2Y6Q I7T 1.89274
13 2QA1 FAD 1.89274
14 2BIF SIN 1.89274
15 2BIF ANP 1.89274
16 3QVP FAD 1.89274
17 2Y6Q FAD 1.89274
18 1YKJ FAD 1.89274
19 1OJ4 ANP 2.12014
20 1I9G SAM 2.14286
21 1BZL FAD 2.2082
22 1VDC FAD 2.2082
23 4JDR FAD 2.2082
24 2J0V GDP 2.35849
25 1LBZ FBP 2.38095
26 2IID PHE 2.52366
27 5EOW FAD 2.52366
28 2IID FAD 2.52366
29 4YKG FAD 2.52366
30 1SQK ADP 2.52366
31 5XVR TRH 2.52366
32 4M37 SAH 2.52366
33 2X7J TPP 2.52366
34 2C29 NAP 2.52366
35 1WPY BTN 2.55319
36 1QSM ACO 2.63158
37 1U3G THF 2.6455
38 1LPD ADE 2.75591
39 1X1R GDP 2.80899
40 1RP0 AHZ 2.8169
41 5YU3 NAD 2.83912
42 5YU3 PRO 2.83912
43 4C3Y ANB 2.83912
44 4C3Y FAD 2.83912
45 1M7G ADX 2.8436
46 2OFW ADX 2.88462
47 2Q4V ACO 2.94118
48 2IYL GDP 3.15457
49 3B8Y ADA ADA ADA ADA 3.15457
50 5CK5 GDP 3.16456
51 3GJX GTP 3.24074
52 5TB5 GDP 3.24324
53 5TAR GDP 3.24324
54 2PEZ DAT 3.35196
55 2PEZ GGZ 3.35196
56 5IDM ANP 3.35196
57 4DDY DN6 3.42205
58 4N70 2HX 3.47003
59 6H3O FAD 3.47003
60 4K5S PM0 3.47003
61 4K5S FAD 3.47003
62 5HR5 ADP 3.47003
63 5TTJ FAD 3.47003
64 6CD1 PLG 3.47003
65 2ZKJ ADP 3.47003
66 4H1V GNP 3.47003
67 3G5D 1N1 3.4965
68 1NJR XYL 3.52113
69 5O2T GSP 3.5503
70 1NLI ADE 3.62903
71 3FUR Z12 3.67647
72 2IVD FAD 3.78549
73 2F5Z FAD 3.78549
74 1T3Q MCN 3.78549
75 5EXW 7DT 3.78549
76 3IE3 N11 3.82775
77 2DXU BT5 3.82979
78 3A4M ADP 3.84615
79 3GJ0 GDP 4.0724
80 3GJ5 GDP 4.0724
81 4YSW NAI 4.10095
82 4YSW FAD 4.10095
83 3X0V FAD 4.10095
84 5Y6Q FAD 4.10095
85 1IBR GNP 4.16667
86 4HAT GNP 4.16667
87 5BXQ GDP 4.16667
88 2WJH FLC 4.21687
89 2WJH GDP 4.21687
90 1I1D 16G 4.34783
91 3HVJ 705 4.52489
92 4Z24 FAD 4.73186
93 5LP1 71H 4.73186
94 2V2V V12 4.79705
95 5FVJ ACO 4.81928
96 5JPH COA 4.86111
97 5UWU GNP 4.8951
98 5DIF GNP 4.8951
99 5DHF GNP 4.8951
100 5UWH GNP 4.8951
101 5UWT GNP 4.8951
102 5UWI GNP 4.8951
103 5UWJ GNP 4.8951
104 6CIT GNP 4.8951
105 5UWP GNP 4.8951
106 5DI9 GNP 4.8951
107 5UWQ GNP 4.8951
108 5UWW GNP 4.8951
109 5UWR GNP 4.8951
110 5UWO GNP 4.8951
111 4PYA 2X3 4.96894
112 5O74 GDP 5
113 1C0I FAD 5.04732
114 1C0I BE2 5.04732
115 4RZ3 ADP 5.08475
116 1WA5 GTP 5.11364
117 3R96 AMP 5.31915
118 3R96 ACO 5.31915
119 5G5G FAD 5.36278
120 3NRZ FAD 5.36278
121 1V97 FAD 5.36278
122 1FIQ FAD 5.36278
123 2R4J FAD 5.36278
124 2R4J 13P 5.36278
125 1QHG ATP 5.36278
126 5G5G MCN 5.36278
127 2ZPA ADP 5.36278
128 6CS8 F9Y 5.61056
129 1RYI GOA 5.67823
130 1RYI FAD 5.67823
131 4YSX FAD 5.85106
132 1Z2A GDP 5.95238
133 2E5V FAD 5.99369
134 4GNI ATP 5.99369
135 3VX3 ADP 6.04839
136 3GJ7 GDP 6.12245
137 1H9G COA MYR 6.17284
138 2CJW GDP 6.25
139 2B4B COA 6.43275
140 4K81 GTP 6.43275
141 3DEF GDP 6.48855
142 1S7N COA 6.59341
143 1L3I SAH 6.77083
144 1UI0 URA 6.82927
145 1WWZ ACO 6.91824
146 1Q9I FAD 6.94006
147 1Q9I TEO 6.94006
148 1QO8 FAD 6.94006
149 5LJW ANP 6.94006
150 4IPE ANP 7.25552
151 4IVG ANP 7.25552
152 1WQ1 GDP 7.25552
153 2RHO GSP 7.25552
154 5HSA FAS 7.57098
155 3HIW C2X 7.72201
156 5L3W GDP 8.16993
157 5TS5 FAD 8.20189
158 5L3S GNP 8.44595
159 3C56 PH4 8.79479
160 1OFD AKG 8.83281
161 1OFD FMN 8.83281
162 4GUT FAD 8.87097
163 4HSU FAD 8.87097
164 4GUS FAD 8.87097
165 5L3R GCP 8.87372
166 2Z6I FMN 9.14826
167 2R75 01G 9.1716
168 1FFU CDP 9.20245
169 2J5V PCA 9.46372
170 1X6V ADP 9.46372
171 5B48 TDN 9.83607
172 6CUZ FEV 10.4101
173 3ITJ FAD 10.7256
174 5ODQ FAD 10.7256
175 4KVA GTP 10.7256
176 4J56 FAD 10.7256
177 2QXL ATP 10.7256
178 3SFV GDP 11.0497
179 3QFA FAD 11.2069
180 4UA3 COA 11.3402
181 3CH5 GDP 11.5385
182 2IYA UDP 11.6719
183 5OF9 ANP 11.6719
184 1FDJ 2FP 11.6719
185 3M1I GTP 12.3288
186 3WYF GTP 12.3288
187 4UP3 FAD 12.4204
188 2GKS ADP 12.6183
189 2RGH FAD 12.9338
190 2RGO FAD 12.9338
191 2GAG FOA 13.1313
192 3WYG GTP 14.8352
193 3GJ4 GDP 18.1818
194 3GJ3 GDP 18.1818
195 3KJI ADP 19.2913
196 1V0C KNC 19.802
197 1V0C ACO 19.802
198 3GJ8 GDP 21.7391
Pocket No.: 2; Query (leader) PDB : 4JZ8; Ligand: CIT; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 4jz8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1ITU CIL 1.57729
2 1EZ0 NAP 1.57729
3 1V59 FAD 1.89274
4 3H7R NAP 1.89274
5 5HS2 CTP 2.15517
6 1PN0 FAD 2.2082
7 1PN0 IPH 2.2082
8 5LY3 ADP 2.2082
9 4UUG PXG 2.2082
10 5Y72 DST 2.2082
11 6G34 5ID 2.2409
12 3QUR ADP 2.44755
13 3QUR FM4 2.44755
14 2A14 SAH 2.6616
15 1H74 ADP 2.7027
16 1D4O NAP 2.71739
17 2VAP GDP 2.83912
18 4L1F FAD 2.83912
19 1M7G AV2 2.8436
20 4IEN GDP 3.06748
21 4RGQ 13P 3.15457
22 4RGQ NDP 3.15457
23 1CER NAD 3.15457
24 5EIB GTP 3.15457
25 2EXK XYS XYS 3.15457
26 4LNU GTP 3.15457
27 6FCH PRP 3.37079
28 1EU1 MGD 3.47003
29 4CJX NAP 3.78549
30 3IE3 GSH 3.82775
31 5O4F 8VE 3.87597
32 3LL5 ADP 4.01606
33 3LL5 IPE 4.01606
34 1EZ4 NAD 4.4164
35 3VEH 0GA 4.4164
36 1I0B PEL 4.73186
37 3CMC NAD 4.73186
38 3IHG FAD 4.73186
39 4TQK NAG 4.73186
40 2PLK P3D 5.04732
41 2VG1 FPP 5.26316
42 3KPB SAM 5.7377
43 5ZAI COA 5.79151
44 1PUA COA 6.13497
45 1OFU GDP 6.94006
46 5M3E APR 7.27273
47 3VC3 C6P 7.57098
48 5FB3 NDP 7.88644
49 4EHU ANP 8.69565
50 2Q0L FAD 9.00322
51 3RYC GTP 9.09091
52 1GS5 NLG 9.30233
53 1GS5 ANP 9.30233
54 3K56 IS3 9.3985
55 2ZGY GDP 12.9338
56 3NY4 SMX 13.9623
57 2PBD ATP 18.6047
Pocket No.: 3; Query (leader) PDB : 4JZ8; Ligand: CIT; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 4jz8.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2FZW NAD 1.26183
2 2YCH ATP 1.89274
3 4RI1 ACO 2.15054
4 1YB5 NAP 2.2082
5 4ONA UW1 2.2082
6 3QV1 NAD 2.43902
7 2YG3 FAD 2.52366
8 4ZSY RW2 2.52366
9 5C9P FUC 2.52366
10 4LAE 1VM 2.99401
11 4LAE NAP 2.99401
12 1XHL NDP 3.0303
13 5BJX UDP 3.15457
14 2QWO ADP 3.26087
15 1T9D FAD 3.47003
16 1T9D 1MM 3.47003
17 1T9D P25 3.47003
18 1T9D PYD 3.47003
19 3HBN UDP 3.5461
20 4ZUL UN1 3.78549
21 6BSX E7S 3.78549
22 6BSX GDP 3.78549
23 5ESO ISC 3.78549
24 5ESO TDP 3.78549
25 4CE5 PDG 4.10095
26 4CRZ ACO 4.37956
27 3LU1 NAD 4.4164
28 5EOU ATP 4.4164
29 1ON3 MCA 4.4164
30 2DT3 NAG NAG NAG NAG NAG NAG 5.04732
31 3W2W ATP 5.04732
32 6F97 FAD 5.67823
33 4ZY1 4U5 5.99369
34 1NV8 SAM 6.69014
35 2BES RES 6.97674
36 2RHO GDP 7.25552
37 2HMT NAI 7.25552
38 2YVJ NAI 7.33945
39 4V15 PLP 7.57098
40 5ODQ 9SB 10.7256
41 4CBX ATP 12.5984
42 4CVN ADP 14.5985
Pocket No.: 4; Query (leader) PDB : 4JZ8; Ligand: CIT; Similar sites found with APoc: 78
This union binding pocket(no: 4) in the query (biounit: 4jz8.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1DRV A3D 1.0989
2 4MOB COA 1.57729
3 2IHT TPP 1.57729
4 1UPA TPP 1.57729
5 1I52 CTP 1.69492
6 5YJF 8WO 1.76056
7 5AK0 8V1 1.89274
8 1NJJ ORX 1.89274
9 3RG9 WRA 2.08333
10 1PHP ADP 2.2082
11 5EIN NAP 2.2082
12 2NVK FAD 2.2082
13 2BVD ISX 2.4735
14 3ZNN FAD 2.52366
15 3ZNN 4WL 2.52366
16 5J60 FAD 2.52366
17 5V7I 8Z1 2.52366
18 2RFZ CTR 2.52366
19 1O0S NAI 2.52366
20 2Q3O FMN 2.52366
21 5X20 NAD 2.5641
22 5BVE 4VG 2.83912
23 4M7V NAP 2.85714
24 2HQM FAD 3.15457
25 2GZ3 NAP 3.15457
26 1RJ9 GCP 3.15457
27 4LNU GDP 3.15457
28 1G0H IPD 3.1746
29 5WKC FAD 3.47003
30 1XUJ BOZ 3.58744
31 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 3.58744
32 1AKY AP5 3.63636
33 2OBF F83 3.80623
34 2OBF SAH 3.80623
35 3VZS NAP 3.89105
36 5MZY 8EZ 4.03226
37 2VHW NAI 4.10095
38 3A5Z KAA 4.10095
39 1PJS NAD 4.10095
40 2BNF UTP 4.14938
41 1I1D COA 4.34783
42 2XAU ADP 4.4164
43 3CIP ATP 4.6875
44 5H68 AGS 4.73186
45 5N0J FAD 4.73186
46 3UH0 TSB 4.73186
47 1GZ4 ATP 4.73186
48 2B9W FAD 4.95283
49 1KEV NDP 5.04732
50 6G96 ACO 5.11364
51 3RJ5 NAD 5.11811
52 2XWL CTP 5.38117
53 1QF9 C5P 5.6701
54 1QF9 ADP 5.6701
55 1QF9 ALF 5.6701
56 1X54 4AD 6.30915
57 1W5F G2P 6.30915
58 1RM4 NDP 6.30915
59 5T67 JHZ 6.94006
60 2Q7V FAD 6.94006
61 5T67 SAH 6.94006
62 1REO FAD 7.25552
63 2VVL FAD 7.25552
64 2I3G NAP 7.57098
65 2XGT NSS 7.57098
66 5NUF NAD 8.51735
67 2NVA PL2 8.83281
68 1TH8 ADP 9.65517
69 3KTA AP5 9.82659
70 1GKZ ADP 10.0946
71 1NZY BCA 10.4089
72 1JXZ BCA 10.4089
73 1RQ2 CIT 10.9948
74 1S7G NAD 11.0672
75 2Q8Z NUP 11.4035
76 3GDH SAH 11.6183
77 1JA9 PYQ 12.4088
78 4A62 ANP 12.9338
APoc FAQ
Feedback