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Receptor
PDB id Resolution Class Description Source Keywords
4L9Z 2.01 Å EC: 4.1.3.24 CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES MALYL-COA LYASE COMPLEX WITH MAGNESIUM, OXALATE, AND COA RHODOBACTER SPHAEROIDES TIM BARREL LYASE
Ref.: THE CRYSTAL STRUCTURES OF THE TRI-FUNCTIONAL CHLORO AURANTIACUS AND BI-FUNCTIONAL RHODOBACTER SPHAEROID MALYL-COA LYASES AND COMPARISON WITH CITE-LIKE SUPE ENZYMES AND MALATE SYNTHASES. BMC STRUCT.BIOL. V. 13 28 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA F:401;
C:401;
A:401;
D:401;
B:401;
E:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
OXL F:402;
C:402;
D:402;
B:402;
A:402;
E:402;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
88.019 C2 O4 C(=O)...
MG C:403;
D:403;
B:403;
A:403;
E:403;
F:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L9Z 2.01 Å EC: 4.1.3.24 CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES MALYL-COA LYASE COMPLEX WITH MAGNESIUM, OXALATE, AND COA RHODOBACTER SPHAEROIDES TIM BARREL LYASE
Ref.: THE CRYSTAL STRUCTURES OF THE TRI-FUNCTIONAL CHLORO AURANTIACUS AND BI-FUNCTIONAL RHODOBACTER SPHAEROID MALYL-COA LYASES AND COMPARISON WITH CITE-LIKE SUPE ENZYMES AND MALATE SYNTHASES. BMC STRUCT.BIOL. V. 13 28 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L9Y - GLV C2 H2 O3 C(=O)C(=O)....
2 4L9Z - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L9Y - GLV C2 H2 O3 C(=O)C(=O)....
2 4L9Z - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L9Y - GLV C2 H2 O3 C(=O)C(=O)....
2 4L9Z - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 4l9z.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5WS9 OXL 1.47493
2 5WS9 ATP 1.47493
3 4DHL 0K7 1.47493
4 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
5 2Z48 A2G 1.76991
6 4OKD GLC GLC GLC 1.76991
7 4WOE ADP 1.76991
8 2Z49 AMG 1.76991
9 6GVZ CHO 1.96721
10 2REG CHT 2.01342
11 1Q19 SSC 2.0649
12 2J5V PCA 2.35988
13 1YKD CMP 2.35988
14 6FOF LAT 2.55102
15 4CSD MFU 2.57353
16 1YXM ADE 2.64026
17 1KC7 PPR 2.65487
18 1M0W ANP 2.94985
19 2J5B TYE 2.94985
20 2C91 TLA 2.95858
21 3T4L ZEA 2.96296
22 1W6P NDG GAL 2.98507
23 4B1L FRU 3.0303
24 1EX7 5GP 3.22581
25 3HQP OXL 3.24484
26 4NTO 1PW 3.38164
27 1Q11 TYE 3.49462
28 4KCT PYR 3.53982
29 3IWK NAD 3.53982
30 3L24 GOA 3.53982
31 2ARC ARA 3.65854
32 3C8F MT2 3.67347
33 5MB4 NAG 3.83481
34 5BOE PEP 3.83481
35 1Y7P RIP 4.03587
36 1VBH PEP 4.42478
37 6E1Q CFA 4.42478
38 3KDM TES 4.58716
39 1KKR 2AS 4.60048
40 2XZ9 PYR 4.62963
41 2B6N ALA PRO THR 4.67626
42 4IP7 FLC 4.71976
43 1TUU AMP 4.71976
44 4XWT U5P 4.71976
45 2DW7 SRT 4.71976
46 4EXO PYR 4.79452
47 1OFZ FUC 4.80769
48 6C6O ENG 5.01475
49 3OBK PBG 5.05618
50 6GW4 CHO 5.21173
51 1P7T PYR 5.33516
52 1P7T ACO 5.33516
53 5NM7 GLY 5.6391
54 1IZC PYR 5.8997
55 2OVW CBI 5.8997
56 5ARK UMP 5.97015
57 3FIU POP 6.0241
58 4RF7 ARG 6.19469
59 3GC8 B45 6.19469
60 3BLI PYR 6.23145
61 1D8C GLV 6.48968
62 2ITM XUL 6.48968
63 2RNF UM3 6.66667
64 2V5K OXM 6.96864
65 3AJ4 SEP 7.14286
66 1PVC ILE SER GLU VAL 7.35294
67 4A91 GLU 7.71812
68 2BS5 BGC GAL FUC 7.77778
69 6F7X MFU 7.77778
70 4B5W PYR 7.8125
71 6G7N DAL 7.86164
72 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 7.89474
73 2Z77 HE7 7.91367
74 3CV2 OXL 7.9646
75 3CV2 COA 7.9646
76 1WD4 AHR 7.9646
77 3G5N PB2 8.25959
78 2VOH CIT 8.28025
79 2G50 PYR 9.43953
80 2OG2 MLI 9.47075
81 1APZ ASP 9.87654
82 4JGX PLM 10.0775
83 1YQC GLV 10.5882
84 4K30 NLG 11.25
85 1XVB BHL 11.7647
86 3T7V MD0 13.5693
87 3ZW2 NAG GAL FUC 13.7931
88 3ZW0 FUC 13.7931
89 3ZW2 GLA NAG GAL FUC 13.7931
90 2XVL PXN 14.1593
91 2VWT PYR 14.2322
92 1JQN DCO 16.5192
93 4K7O EKZ 17.2619
94 5FPX GLY SER SER HIS HIS HIS HIS HIS 21.2389
95 3OYZ ACO 28.0236
96 5VXC COA 44.9231
97 1Z6K OAA 45.3925
Pocket No.: 2; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 295
This union binding pocket(no: 2) in the query (biounit: 4l9z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4RLE 2BA 0.589971
2 1NZY BCA 0.743494
3 4D81 ADP 1.41343
4 5WS9 ATP 1.47493
5 5WS9 OXL 1.47493
6 2GOU FMN 1.47493
7 4PFO ADP 1.47493
8 5N81 8Q2 1.47493
9 2BL9 NDP 1.68067
10 2BL9 CP6 1.68067
11 5EXW 7DT 1.75
12 3ZGE ASP 1.76991
13 1YBH FAD 1.76991
14 2FYF PLP 1.76991
15 1UMP SQA 1.76991
16 2OWZ F6P 1.80723
17 4XF6 INS 1.8315
18 4XF6 LIP 1.8315
19 4XF6 ADP 1.8315
20 1PUA COA 1.84049
21 1NYT NAP 1.84502
22 3IA4 NDP 1.85185
23 1QSN COA 1.85185
24 1RVV INI 1.94805
25 4NJS G08 2.0202
26 4FJU NAI 2.0649
27 5K4W THR 2.0649
28 5O9X G16 2.0649
29 2Q4H AMP 2.0649
30 2C6Q IMP 2.0649
31 3MMR ABH 2.0649
32 2C6Q NDP 2.0649
33 4Z87 5GP 2.0649
34 6GAS FAD 2.1148
35 6BQ6 TER 2.1148
36 1HSK FAD 2.14724
37 6GIU L69 2.16606
38 5MEX PAP 2.17391
39 4S3F 43W 2.21675
40 2Y5D NAP 2.24719
41 3KCC CMP 2.30769
42 3WR7 COA 2.35294
43 2J5V PCA 2.35988
44 5WPJ NDP 2.35988
45 1QMG APX 2.35988
46 3AAQ ARU 2.35988
47 2RDE C2E 2.35988
48 1SAY PYR 2.35988
49 5EY0 GTP 2.35988
50 5X20 NAD 2.5641
51 6EDV COA 2.57732
52 1KC7 PPR 2.65487
53 2J3M PRI 2.65487
54 4W93 3L9 2.65487
55 5H68 AGS 2.65487
56 3F3E LEU 2.65487
57 2J3M ATP 2.65487
58 2Q8Z NUP 2.65487
59 5JXZ ISJ 2.65487
60 5JXZ ISC 2.65487
61 4AF0 IMP 2.65487
62 6C4M NAP 2.65487
63 1ZPD DPX 2.65487
64 1Z82 NDP 2.68657
65 3GF4 FAD 2.82051
66 2WZM NA7 2.82686
67 3NC9 TR3 2.8754
68 3KV8 FAH 2.8777
69 3OND ADN 2.94985
70 3OND NAD 2.94985
71 3H4L ANP 2.94985
72 2C0U FAD NBT 2.94985
73 6C7D EOJ 2.94985
74 3D91 REM 2.94985
75 4GEV CB3 2.94985
76 4ISK 1JY 2.94985
77 1JGT APC 2.94985
78 1KCE CB3 2.94985
79 1DNA CB3 2.94985
80 1RKD ADP 2.94985
81 1RKD RIB 2.94985
82 1F4G TP4 2.94985
83 1F4F TP3 2.94985
84 6CDZ CB3 2.94985
85 1TSD F89 2.94985
86 2KCE D16 2.94985
87 1ZPR CB3 2.94985
88 1AIQ CB3 2.94985
89 1TDU CB3 2.94985
90 3S43 478 3.0303
91 2JG1 ANP 3.0303
92 4YHQ G10 3.0303
93 3GE7 AFQ 3.10881
94 4REF 3N0 3.125
95 1U3G THF 3.1746
96 4XDA ADP 3.23625
97 3HQP OXL 3.24484
98 1RP7 TZD 3.24484
99 2GZ3 NAP 3.24484
100 3D9F N6C 3.24484
101 3D9F FAD 3.24484
102 1GOT GDP 3.24484
103 3G6K FAD 3.24675
104 4NTO 1PW 3.38164
105 1BOB ACO 3.4375
106 4KCT PYR 3.53982
107 5A04 NDP 3.53982
108 5A04 BGC 3.53982
109 4X8O AP5 3.53982
110 2A9G ARG 3.53982
111 4WXG 2BO 3.53982
112 1IXE COA 3.53982
113 3V1Y NAD 3.56083
114 1IN4 ADP 3.59281
115 1AKY AP5 3.63636
116 5M3E APR 3.63636
117 5O4J 9KH 3.64964
118 5O4J PJL 3.64964
119 5O4J SAH 3.64964
120 4QAC KK3 3.68664
121 1YB5 NAP 3.7037
122 5WX3 COA 3.78788
123 5TH5 7C5 3.80228
124 6AIC AMP 3.83481
125 2V6G NAP 3.83481
126 1IHU ADP 3.83481
127 1IHU AF3 3.83481
128 2VJ8 HA2 3.83481
129 5KOR GDP 3.83481
130 1R6U TYM 3.83481
131 1C9K 5GP 3.88889
132 1H6C SIN 3.9261
133 1H6C NDP 3.9261
134 1EE0 CAA 3.9801
135 2VB6 ADP BEF 4.02685
136 1Z83 AP5 4.08163
137 2B4B COA 4.09357
138 2AAZ CB3 4.10095
139 2GQT FAD 4.10448
140 6GBV FMN 4.10959
141 2A2C ADP 4.12979
142 2A2C NG1 4.12979
143 5I0H ADP BEF 4.12979
144 3MTW M3R 4.12979
145 1KBJ FMN 4.12979
146 1KBI PYR 4.12979
147 1KBI FMN 4.12979
148 4HDH ATP 4.12979
149 4NU0 AP5 4.14747
150 5LW0 AR6 4.329
151 4EES FMN 4.34783
152 5WRI ASP PHE GLU ASP TYR GLU PHE ASP 4.375
153 3F8K COA 4.375
154 1RYD NDP 4.39277
155 1VBH PEP 4.42478
156 1YIQ PQQ 4.42478
157 4KCF AKM 4.42478
158 2PID YSA 4.42478
159 3ZL8 ADP 4.42478
160 1E1O LYS 4.42478
161 12AS AMP 4.54545
162 3WG6 NDP 4.56026
163 2XZ9 PYR 4.62963
164 1XG5 NAP 4.6595
165 4IP7 FLC 4.71976
166 5X2Z 3LM 4.71976
167 4DQL NAP 4.71976
168 4DQL FAD 4.71976
169 3NUB UD0 4.71976
170 2HSA FMN 4.71976
171 3AB1 FAD 4.72222
172 6BA2 7KM 4.74576
173 3IHZ FK5 4.7619
174 4D3F NAP 4.83871
175 5O3Q CMP 5
176 6C6O ENG 5.01475
177 1GQY ACP 5.01475
178 2VZZ SCA 5.04587
179 4OBW SAM 5.05837
180 4AVB ACO 5.1051
181 2ZE7 AMP 5.13834
182 6CLV 6MB 5.15464
183 5YGE ACO 5.17241
184 5YGE GLU 5.17241
185 1XNG ATP 5.22388
186 5EYG NAP 5.28302
187 6FAA ADP 5.30973
188 3VCY UD1 5.30973
189 2WOX NDP 5.30973
190 4IXH IMP 5.30973
191 3MKH FAD 5.30973
192 1P7T PYR 5.33516
193 1W6S PQQ 5.40541
194 2I4I AMP 5.60472
195 4WZA ADP 5.60472
196 4WZA ACP 5.60472
197 3FRK TQP 5.60472
198 4CNK FAD 5.60472
199 5NM7 GLY 5.6391
200 1YOK P6L 5.85938
201 1IZC PYR 5.8997
202 1FP2 HMO 5.8997
203 3WXM GTP 5.8997
204 1QSM ACO 5.92105
205 3O9L LPN 6.0241
206 3FIU POP 6.0241
207 1G51 AMO 6.19469
208 1ZH8 NAP 6.19469
209 4WOP CTP 6.22222
210 6GNA FAD 6.25
211 1NVT NAP 6.27178
212 2F59 INI 6.36943
213 1D8C GLV 6.48968
214 3IAA TYD 6.48968
215 3RSC TYD 6.48968
216 2BUP ATP 6.48968
217 2BUP ADP 6.48968
218 4TMZ GSP 6.48968
219 6G3R ADP 6.48968
220 1RRM APR 6.48968
221 2QWO ADP 6.48968
222 1PIG AGL GLC HMC AGL GLC BGC 6.65323
223 1H70 CIR 6.66667
224 1F28 F89 6.73401
225 4XQC 13D 6.78466
226 5I60 67W 6.78466
227 1KOR ARG 6.78466
228 1KOR SIN 6.78466
229 1IIU RTL 6.89655
230 4R3L COA 6.93642
231 2V5K OXM 6.96864
232 2D0V PQQ 7.07965
233 3CQD ATP 7.11974
234 3AJ4 SEP 7.14286
235 3ZIA ADP 7.19424
236 1LRW PQQ 7.22892
237 5J5R IMP 7.37463
238 5J5R 6G1 7.37463
239 5K8C NAD 7.37463
240 3IUY AMP 7.66962
241 4B5W PYR 7.8125
242 3CV2 OXL 7.9646
243 1WD4 AHR 7.9646
244 3QFU ADP 7.9646
245 4LH0 GLV 7.9646
246 5N69 ADP 7.9646
247 1A5Z FBP 8.15047
248 5N2I NAP 8.18966
249 3D2M COA 8.25959
250 2VOH CIT 8.28025
251 3TO7 COA 8.33333
252 3FB4 AP5 8.33333
253 4I06 X8A 8.55457
254 1S7N COA 8.79121
255 2ZW5 COA 8.84956
256 2HW2 RFP 9.09091
257 5ODQ 9SB 9.28571
258 2G50 PYR 9.43953
259 5M7P ADP 9.43953
260 5E5U MLI 9.54774
261 3DLS ADP 9.55224
262 2C94 TSF 10
263 3P5P A3C 10.0295
264 1QPR PPC 10.2113
265 5W8Q BU4 10.3245
266 1PJS NAD 10.6195
267 2VBQ BSJ 10.9091
268 2GMH FAD 10.9145
269 5EIN NAP 11.1111
270 4C5N ACP 11.2319
271 4C5N PXL 11.2319
272 2QRD ATP 11.6788
273 5J60 FAD 11.875
274 2JAP J01 12.9555
275 1F74 NAY 12.9693
276 1RV0 NDG 13.125
277 1S7G NAD 13.4387
278 2VWT PYR 14.2322
279 1FNN ADP 14.4543
280 5HH0 COA 14.5
281 1ZDU P3A 14.6939
282 3DFR NDP 15.4321
283 1JQN DCO 16.5192
284 5KZD RCJ 16.7235
285 3OJI PYV 16.9312
286 4H6U ACO 19
287 4CRZ ACO 20.438
288 5LS7 ACO 20.438
289 1B7T ADP 21.7949
290 4HIA FMN 22.1591
291 4KXQ APR 23.3333
292 1KK8 BEF ADP 24.4604
293 5LXM ADP 26.3158
294 3OYZ ACO 28.0236
295 1Z6K OAA 45.3925
Pocket No.: 3; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 73
This union binding pocket(no: 3) in the query (biounit: 4l9z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1JXZ BCA 0.743494
2 5MM0 GDD 1.17994
3 5OD2 GLC 1.47493
4 2H5Z CTO 1.63934
5 4LUT DCS 1.76991
6 6CD1 PLG 1.76991
7 2VVT I24 2.0649
8 5JP0 BGC 2.0649
9 3NRR UMP 2.0649
10 3NRR D16 2.0649
11 2V2V V12 2.21402
12 5THZ SAH 2.35988
13 1N1G BCP 2.35988
14 1P72 ADP 2.39521
15 5DX9 T6P 2.53165
16 1SYN F89 2.94985
17 1JGT CMA 2.94985
18 6BK3 UDP 2.94985
19 1I52 CTP 2.9661
20 1DQS CRB 3.05344
21 1DQS NAD 3.05344
22 1L3I SAH 3.125
23 3C6K MTA 3.14961
24 3C6K SPD 3.14961
25 2PZ8 APC 3.16901
26 5XDR ADP 3.18841
27 4XDA RIB 3.23625
28 3G6K POP 3.24675
29 1NXJ TLA 3.27869
30 4CS4 AXZ 3.28467
31 4CS4 ANP 3.28467
32 6BFG FMN 3.50877
33 3ZOK NAD 3.53982
34 3LOO B4P 3.53982
35 3NVD OAN 3.53982
36 3C0O M6P 3.83481
37 3O9Z NAD 3.84615
38 4UTG ANP 4.12979
39 5YVR NDP 4.42478
40 1O2D NAP 4.42478
41 1VHD NAP 4.42478
42 1JS3 PLP 142 4.42478
43 2D3M COA 5.01475
44 3OTH TYD 5.01475
45 2ZE7 DST 5.13834
46 2WW4 ADP 5.30035
47 2NLI FMN 5.30973
48 2V7Y ADP 5.30973
49 5JWC FAD 5.60472
50 6CGZ HL6 5.67376
51 2IL4 COA 5.82524
52 1FP2 SAH 5.8997
53 3OZV FAD 6.48968
54 5GM1 SAH 6.73401
55 1KOR ANP 6.78466
56 5U5N NAD 6.81004
57 4C2V YJA 6.81818
58 3QDK QDK 7.07965
59 3MBI HSX 7.31707
60 1T0I FMN 7.32984
61 1XAJ CRB 7.37463
62 1XAJ NAD 7.37463
63 3D72 FAD 7.38255
64 4XZ3 ACP 7.3913
65 5XJ8 NKO 7.46269
66 3DLG GWE 7.9646
67 1EFV FAD 8.62745
68 1EFV AMP 8.62745
69 1V8B NAD 8.84956
70 3FQ8 PMP 9.43953
71 1G72 PQQ 10.1449
72 3QQA TCH 11.5741
73 2VOT NHV 14.4543
Pocket No.: 4; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 21
This union binding pocket(no: 4) in the query (biounit: 4l9z.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z48 NGA 1.76991
2 3R6K FUC GAL GLA 1.96721
3 3JU6 ANP 2.0649
4 1QFY FAD 2.27273
5 1QFY NAP 2.27273
6 2PYW SR1 2.94985
7 1F9V ADP 2.94985
8 3P7G MAN 3.42466
9 3FYP PEP 3.57143
10 3P3Z P3Z 3.83481
11 4CM4 4NR 4.16667
12 2QTR NXX 4.2328
13 1F0X FAD 5.01475
14 4YAG NAI 5.19031
15 4KQL 1SG 5.30973
16 3HCH RSM 6.16438
17 3T3Z 9PL 6.19469
18 3ALT MLB 7.64331
19 2GOO NDG 12.2137
20 6CHP F0Y 16.1491
21 1LRH NLA 16.5644
Pocket No.: 5; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 76
This union binding pocket(no: 5) in the query (biounit: 4l9z.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHT TSA None
2 3VPD BUA 1.42349
3 2ZUX RAM 1.47493
4 5A07 GDP 1.47493
5 5TG5 JW8 1.63265
6 1W31 SHO 1.76991
7 3H55 GLA 1.76991
8 1DQX BMP 1.87266
9 1RVV INI 1.94805
10 2VK2 GZL 1.96078
11 3QX9 ATP 2.17391
12 3B00 16A 2.20588
13 1SZO CAX 2.33463
14 2Q3M MLA 2.45399
15 3QPB URA 2.48227
16 5DMM HCS 2.58065
17 4Y24 TD2 2.5974
18 5NV9 SLB 2.65487
19 6FOG OXL 2.67857
20 2VPN 4CS 2.8481
21 4A38 BZS 2.94985
22 3I9U DTU 3.04183
23 4D52 GXL 3.1746
24 1W6F ISZ 3.23741
25 5NBP BGC BGC BGC 3.30882
26 2CZL TLA 3.30882
27 5HCF BGC 3.32103
28 3DUV KDO 3.43511
29 5WSY 7UC 3.46821
30 3NZK C90 3.53698
31 4CCK OGA 3.53982
32 1S4P GDP 3.53982
33 1INN MET 3.61446
34 2ZFZ ARG 3.79747
35 6F9G PUT 3.83481
36 4A34 FUL 4.08163
37 4H69 10Y 4.12371
38 2HXT EHM 4.12979
39 3ECN IBM 4.14201
40 3ROE THM 4.15094
41 2FMD MAN MAN 4.16667
42 3BMQ AX5 4.16667
43 5LQ8 GB 4.60993
44 2Y7G AAE 4.60993
45 2GPT TLA 4.71976
46 4BC5 5FX 4.71976
47 4KRG OPE 4.71976
48 2F7A BEZ 4.74138
49 5UBG PRT 4.86726
50 3PIJ FRU 5.01475
51 1DZK PRZ 5.09554
52 4ZRB COA 5.10949
53 2HFN FMN 5.22876
54 2POC UD1 5.30973
55 2GVJ DGB 5.30973
56 5I8T LAC 5.58659
57 1M5W DXP 5.76132
58 3RK1 ATP 5.90717
59 2CW6 3HG 6.04027
60 2MJP ANP 6.21762
61 5FPE 3TR 6.48968
62 2AL2 2PG 6.78466
63 2AL2 PEP 6.78466
64 5F6U 5VK 7.00637
65 3NNT DQA 7.07965
66 1R6N 434 7.109
67 5K6N XYP 7.37463
68 4BPZ GLC BGC BGC 7.42188
69 5H9Y BGC BGC BGC BGC BGC 7.66962
70 2VAR KDF 7.98722
71 4ZCW 4NG 8.25959
72 1X0P FAD 9.79021
73 4AVV CD 10.7843
74 3BY9 SIN 11.5044
75 5HCN DAO 12.6844
76 4MUV PCG 13.3803
Pocket No.: 6; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 108
This union binding pocket(no: 6) in the query (biounit: 4l9z.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHT TSA None
2 3VPD BUA 1.42349
3 2ZUX RAM 1.47493
4 5TG5 JW8 1.63265
5 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
6 2Z48 A2G 1.76991
7 1DQX BMP 1.87266
8 5X80 SAL 1.875
9 2REG CHT 2.01342
10 1Q19 SSC 2.0649
11 3JU6 ANP 2.0649
12 3QX9 ATP 2.17391
13 2Q3M MLA 2.45399
14 4CSD MFU 2.57353
15 5DMM HCS 2.58065
16 4Y24 TD2 2.5974
17 1YXM ADE 2.64026
18 2VPN 4CS 2.8481
19 2J5B TYE 2.94985
20 3T4L ZEA 2.96296
21 1W6P NDG GAL 2.98507
22 3I9U DTU 3.04183
23 5L8N 6RQ 3.125
24 4D52 GXL 3.1746
25 1EX7 5GP 3.22581
26 4U5I BXP 3.24484
27 2CZL TLA 3.30882
28 5HCF BGC 3.32103
29 3DUV KDO 3.43511
30 5WSY 7UC 3.46821
31 3NZK C90 3.53698
32 3IWK NAD 3.53982
33 3L24 GOA 3.53982
34 1S4P GDP 3.53982
35 1INN MET 3.61446
36 5BOE PEP 3.83481
37 6F9G PUT 3.83481
38 1Y7P RIP 4.03587
39 4A34 FUL 4.08163
40 4H69 10Y 4.12371
41 2HXT EHM 4.12979
42 3ROE THM 4.15094
43 4CM4 4NR 4.16667
44 2FMD MAN MAN 4.16667
45 3BMQ AX5 4.16667
46 1VG0 GER 4.34783
47 1DZT ATY 4.37158
48 6E1Q CFA 4.42478
49 3KDM TES 4.58716
50 1KKR 2AS 4.60048
51 5LQ8 GB 4.60993
52 2B6N ALA PRO THR 4.67626
53 4BC5 5FX 4.71976
54 5INJ TRP 4.71976
55 2DW7 SRT 4.71976
56 1TUU AMP 4.71976
57 4KRG OPE 4.71976
58 2F7A BEZ 4.74138
59 1OFZ FUC 4.80769
60 5UBG PRT 4.86726
61 3PIJ FRU 5.01475
62 3OBK PBG 5.05618
63 4ZRB COA 5.10949
64 4R78 AMP 5.17799
65 6GW4 CHO 5.21173
66 3ZXE PGZ 5.26316
67 2POC UD1 5.30973
68 1P7T ACO 5.33516
69 5I8T LAC 5.58659
70 3BRN SRO 5.73248
71 1M5W DXP 5.76132
72 5OES ADP 5.8997
73 2OVW CBI 5.8997
74 3RK1 ATP 5.90717
75 5ARK UMP 5.97015
76 3HCH RSM 6.16438
77 3T3Z 9PL 6.19469
78 1VRP ADP 6.19469
79 4RF7 ARG 6.19469
80 3GC8 B45 6.19469
81 2MJP ANP 6.21762
82 2RNF UM3 6.66667
83 2AL2 2PG 6.78466
84 2AL2 PEP 6.78466
85 5F6U 5VK 7.00637
86 1R6N 434 7.109
87 1PVC ILE SER GLU VAL 7.35294
88 5K6N XYP 7.37463
89 5H9Y BGC BGC BGC BGC BGC 7.66962
90 4A91 GLU 7.71812
91 6F7X MFU 7.77778
92 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 7.89474
93 3CV2 COA 7.9646
94 2VAR KDG 7.98722
95 2VAR KDF 7.98722
96 1X0P FAD 9.79021
97 4JGX PLM 10.0775
98 5G48 1FL 10.3245
99 5FQ0 FLC 10.5263
100 1YQC GLV 10.5882
101 4AVV CD 10.7843
102 3UB7 ACM 11.0497
103 4K30 NLG 11.25
104 4YEE 4CQ 12.2222
105 5HCN DAO 12.6844
106 3ZW2 NAG GAL FUC 13.7931
107 3ZW0 FUC 13.7931
108 5VXC COA 44.9231
Pocket No.: 7; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 14
This union binding pocket(no: 7) in the query (biounit: 4l9z.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3NZ1 3NY 2.29885
2 2BSA NAP 2.31023
3 2BSA FAD 2.31023
4 5VE5 GSH 2.94985
5 5FQK 6NT 2.97398
6 5ECP ATP 4.42478
7 4FE2 AIR 4.70588
8 2NNQ T4B 6.87023
9 4JD3 PLM 7.9646
10 4JD3 COA 7.9646
11 3GUZ PAF 8.52273
12 1I7Q PYR 8.80829
13 4O4Z N2O 11.039
14 2I74 MAN MAN MAN MAN 12.1693
Pocket No.: 8; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 29
This union binding pocket(no: 8) in the query (biounit: 4l9z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6CD1 PLS 1.76991
2 6D6W GCU 2.65487
3 2JLR ANP 2.94985
4 4B7X NAP 2.97619
5 5X3R 7Y3 3.41463
6 4NJH SAM 3.47826
7 4NJH 2K8 3.47826
8 2YI0 YI0 3.49345
9 2XAU ADP 3.83481
10 3QFA FAD 4.12979
11 3VP6 HLD 4.12979
12 5YV5 ADP 4.12979
13 5WRI A3P 4.375
14 5WP4 PC 4.42478
15 2C9E PID 4.58716
16 6C3C EJ1 4.60048
17 5WRJ A3P 4.62046
18 1JQ3 AAT 4.72973
19 5F3I 5UJ 5.01475
20 5TPR NAD 5.30973
21 1GXU 2HP 5.49451
22 1NPD NAD 5.55556
23 3WSJ MK1 6.89655
24 3IS2 FAD 7.14286
25 4RIF 3R2 7.38786
26 2RL1 UD1 10.6195
27 2CNT COA 11.25
28 3E9I XAH 11.7994
29 1XCL SAH 12.3404
Pocket No.: 9; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 7
This union binding pocket(no: 9) in the query (biounit: 4l9z.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3HZL 6PC 1.47493
2 1MJT ITU 1.76991
3 1IGW PYR 2.0649
4 2BCG GER 2.42718
5 5KBF CMP 2.65781
6 1DDU DDU 2.94985
7 2HFK E4H 6.58307
Pocket No.: 10; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 37
This union binding pocket(no: 10) in the query (biounit: 4l9z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3RT4 LP5 None
2 3K9U ACO 1.25786
3 6F3M ADN 1.76991
4 1BGQ RDC 1.77778
5 1Q2D COA 1.85185
6 5WKC FAD 2.0649
7 1T9D FAD 2.0649
8 4Z0G 5GP 2.0649
9 2Q7V FAD 2.15385
10 4LZJ 22H 2.31023
11 5THY SAH 2.35988
12 2XTZ GSP 2.35988
13 1YKD CMP 2.35988
14 1LBF 137 2.42915
15 4MP8 NAD 2.65487
16 4MP8 MLI 2.65487
17 1X54 4AD 2.65487
18 4I9A NCN 2.77778
19 3N3T C2E 3.06122
20 1ZAP A70 3.50877
21 4I5I NAD 3.83275
22 3FV3 IVA VAL VAL STA ALA STA 4.12979
23 2ZTS ADP 4.78088
24 1ELU PDA 5.01475
25 1RF6 S3P 5.01475
26 1RF6 GPJ 5.01475
27 1QF9 C5P 5.6701
28 1QF9 ALF 5.6701
29 1QF9 ADP 5.6701
30 3TDH AMP 6.50155
31 1VEM GLC GLC 6.78466
32 6G9I CXX 7.27273
33 2VDH CAP 7.37463
34 2V67 CAP 7.37463
35 2V6A CAP 7.37463
36 3U7S 017 8.08081
37 1SVM ATP 10.0295
Pocket No.: 11; Query (leader) PDB : 4L9Z; Ligand: COA; Similar sites found with APoc: 9
This union binding pocket(no: 11) in the query (biounit: 4l9z.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5LNW HG3 1.89873
2 4P8K FAD 2.94985
3 4P8K 38C 2.94985
4 1ZOA 140 3.24484
5 1MFI FHC 6.14035
6 6CFC BLG 6.19469
7 3QDK QDK 7.07965
8 4YJK URA 7.53968
9 6G7N DGL 7.86164
Pocket No.: 12; Query (leader) PDB : 4L9Z; Ligand: OXL; Similar sites found with APoc: 20
This union binding pocket(no: 12) in the query (biounit: 4l9z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1OJ7 NZQ 1.47493
2 4PXL NAD 2.0649
3 1QFY NAP 2.27273
4 1QFY FAD 2.27273
5 4O1M NAD 3.1746
6 1XHC FAD 3.54223
7 1UPF URF 3.57143
8 5WL1 D3D 3.66667
9 4UP3 FAD 4.14013
10 1N5S ADL 4.46429
11 6FXR UDP 6.19469
12 1N9G NAP 7.07965
13 4JIQ 1L5 8.55457
14 4JIQ FMN 8.55457
15 2WCV FUC 11.4286
16 1MID LAP 13.1868
17 2QZS ADP 14.7493
18 2QZS GLC 14.7493
19 2QZS 250 14.7493
20 5K21 6QF 16.3121
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