Receptor
PDB id Resolution Class Description Source Keywords
4OKD 2.4 Å EC: 3.2.1.68 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII ISOAMYLASE 1 COMPLEX WITH MALTOHEPTAOSE CHLAMYDOMONAS REINHARDTII GH13 GLYCOSIDE HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE CHLAMYDOMONAS STARCH DEBRA ENZYME ISOAMYLASE ISA1 REVEALS INSIGHTS INTO THE ME OF BRANCH TRIMMING AND COMPLEX ASSEMBLY. J.BIOL.CHEM. V. 289 22991 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC GLC A:1001;
B:1001;
Invalid;
Invalid;
none;
none;
submit data
1153 n/a O(C1O...
GLC A:1008;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC A:1012;
A:1009;
B:1008;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
504.438 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OKD 2.4 Å EC: 3.2.1.68 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII ISOAMYLASE 1 COMPLEX WITH MALTOHEPTAOSE CHLAMYDOMONAS REINHARDTII GH13 GLYCOSIDE HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE CHLAMYDOMONAS STARCH DEBRA ENZYME ISOAMYLASE ISA1 REVEALS INSIGHTS INTO THE ME OF BRANCH TRIMMING AND COMPLEX ASSEMBLY. J.BIOL.CHEM. V. 289 22991 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OKD - GLC GLC GLC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OKD - GLC GLC GLC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OKD - GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OKD; Ligand: GLC GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4okd.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OKD; Ligand: GLC GLC GLC; Similar sites found: 162
This union binding pocket(no: 2) in the query (biounit: 4okd.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M13 HYF 0.02183 0.42426 1.26582
2 4RYD 2UE ARG TBG ARG 00S 0.02411 0.41391 1.45228
3 3QCP FAD 0.007704 0.44238 1.48936
4 3KJS NAP 0.03563 0.40416 1.53551
5 5KOR GDP 0.02977 0.40382 1.53551
6 4DV8 0LX 0.01811 0.43305 1.71103
7 5MW4 5JU 0.04268 0.40192 1.79641
8 3G9E RO7 0.04189 0.40955 1.84502
9 4YWV SSN 0.01218 0.4309 2.15054
10 2X2M X2M 0.02801 0.40485 2.2293
11 1OLM VTQ 0.02586 0.41715 2.23325
12 2UUU PL3 0.04553 0.42122 2.39726
13 1ATL 0QI 0.01981 0.41858 2.47525
14 3KDU NKS 0.03956 0.42539 2.52708
15 2G86 UMP 0.0466 0.41873 2.53165
16 3M31 FAD 0.03864 0.40123 2.57732
17 1N83 CLR 0.01265 0.42923 2.59259
18 5AX9 4KT 0.01897 0.40695 2.5974
19 3Q9T FAY 0.04757 0.40701 2.61905
20 3VHZ SOG 0.02409 0.43174 2.67176
21 3VHZ L2P GLC MAN SGA 0.02678 0.43172 2.67176
22 3LLI FAD 0.007646 0.44201 2.68199
23 5W4W 9WG 0.033 0.4047 2.71903
24 3WVS RRM 0.02022 0.40773 2.74314
25 4YLL 4E3 0.02295 0.40632 2.77008
26 3A1C ACP 0.01555 0.41619 2.78746
27 4BUZ OAD 0.02051 0.42003 2.84553
28 2V3A FAD 0.01927 0.42997 2.86458
29 3HR1 PF9 0.02559 0.40832 2.89474
30 2WPX ACO 0.02608 0.40518 2.94985
31 5APJ 76E 0.0329 0.4101 3.00752
32 3T58 FAD 0.01143 0.43495 3.08285
33 1E7S NAP 0.02679 0.41394 3.11526
34 4O1M NAD 0.04808 0.40106 3.1746
35 4IGH FMN 0.0266 0.44169 3.22581
36 4IGH 1EA 0.0266 0.44169 3.22581
37 4IGH ORO 0.0266 0.44169 3.22581
38 4OMJ 2TX 0.02733 0.42041 3.23741
39 2Q2Y MKR 0.01963 0.43312 3.26975
40 2Q2Y ADP 0.02041 0.43312 3.26975
41 2PD4 DCN 0.04028 0.40868 3.27273
42 2PD4 NAD 0.04129 0.4078 3.27273
43 4H3Q ANP 0.01783 0.412 3.31492
44 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.007203 0.41454 3.34728
45 2H21 SAM 0.02858 0.40758 3.40909
46 1YOK P6L 0.03853 0.41505 3.51562
47 5XDT ZI7 0.0003116 0.5185 3.57143
48 3R9C ECL 0.01897 0.40448 3.58852
49 3O6M PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.01793 0.40305 3.65297
50 3T31 FAD 0.0315 0.42352 3.66133
51 3T31 DCQ 0.03312 0.42352 3.66133
52 3VRV YSD 0.04402 0.41787 3.69004
53 1Q2C COA 0.02692 0.40965 3.7037
54 3HDY FAD 0.02782 0.43071 3.77834
55 3E85 BSU 0.03902 0.41456 3.79747
56 3DCT 064 0.02148 0.41766 3.82979
57 1S7N COA 0.01945 0.41061 3.84615
58 4NFN 2KC 0.02521 0.40082 3.8835
59 3BQD DAY 0.02692 0.40524 3.92157
60 3RUU 37G 0.02829 0.41474 3.93013
61 4I54 1C1 0.007337 0.44519 3.96601
62 1VGR COA 0.01017 0.43735 3.98126
63 5CEO 50D 0.01387 0.4109 4
64 2WOR 2AN 0.01309 0.40156 4
65 1I8T FAD 0.0478 0.40031 4.04762
66 5UI2 EQ3 0.04492 0.40953 4.10095
67 4UHL VFV 0.01096 0.43908 4.26009
68 3AHQ FAD 0.002799 0.46222 4.30108
69 1UUO ORO 0.03787 0.42451 4.30108
70 1UUO BRF 0.03984 0.42451 4.30108
71 5UAV NDP 0.007411 0.44847 4.34783
72 5UAV TFB 0.007756 0.44847 4.34783
73 3EWK FAD 0.003373 0.44709 4.40529
74 4I53 1C1 0.02448 0.40147 4.46927
75 1V0O INR 0.02169 0.40335 4.51389
76 5LI1 ANP 0.02859 0.4034 4.51977
77 3IS2 FAD 0.01929 0.42449 4.54545
78 3RG9 WRA 0.03748 0.41139 4.58333
79 3RG9 NDP 0.03343 0.41139 4.58333
80 1EWF PC1 0.03987 0.41992 4.60526
81 2GFD RDA 0.02519 0.41092 4.66102
82 3D72 FAD 0.03276 0.41276 4.69799
83 4J7Q B7N 0.008317 0.44813 4.8048
84 3DDC GNP 0.01928 0.41941 4.81928
85 1YB5 NAP 0.035 0.41193 4.8433
86 4LZJ 22H 0.03242 0.40364 4.9505
87 4B5P ACO 0.01431 0.43095 5
88 2QZO KN1 0.008814 0.43174 5.03876
89 2CUL FAD 0.01778 0.42823 5.17241
90 4BGB ADP 0.01838 0.40338 5.23077
91 3GWN FAD 0.01516 0.42145 5.26316
92 1YC4 43P 0.02324 0.40128 5.30303
93 1H9G COA MYR 0.02545 0.41425 5.34979
94 1QG6 TCL 0.04915 0.41276 5.36398
95 1QG6 NAD 0.04915 0.41276 5.36398
96 4JD3 PLM 0.04411 0.41706 5.38244
97 4JD3 COA 0.04136 0.41706 5.38244
98 1E1M NAP 0.03606 0.42542 5.43478
99 1E1M FAD 0.03606 0.42542 5.43478
100 1PZO CBT 0.04463 0.41363 5.70342
101 1WY7 SAH 0.0277 0.40424 5.7971
102 3HQP OXL 0.03361 0.40191 5.81162
103 4IAE 1DX 0.04541 0.40557 5.82011
104 1YUC EPH 0.0228 0.41721 5.88235
105 4EKQ NPO 0.02364 0.40397 5.88235
106 2Q0D ATP 0.01812 0.42523 5.94901
107 1U08 PLP 0.01005 0.4146 6.21762
108 5KBF CMP 0.01843 0.40125 6.31229
109 3EE4 MYR 0.02108 0.41195 6.50155
110 3IL6 B83 0.01445 0.41577 6.54206
111 3B9O FMN 0.01541 0.41286 6.59091
112 5NTW 98N 0.033 0.41082 6.61479
113 2CNT COA 0.02281 0.41566 7.5
114 4ZOM 4Q3 0.0312 0.42008 7.55556
115 4K81 GTP 0.01213 0.42963 7.60234
116 4RW3 SHV 0.01088 0.4213 7.61589
117 1Y75 NAG 0.01774 0.4018 7.62712
118 2VZZ SCA 0.01131 0.43575 7.79817
119 3UST FAD 0.01601 0.4084 7.86517
120 3P0K FAD 0.0143 0.41893 7.89474
121 4B4U NAP 0.04572 0.40254 7.92079
122 2A9K GDP 0.01607 0.40586 8.07175
123 1DKF BMS 0.02728 0.40874 8.15451
124 2VHJ ADP 0.02513 0.40391 8.1571
125 2GJ3 FAD 0.01024 0.42799 8.33333
126 3H0A D30 0.0388 0.40565 8.33333
127 5IFS ADP 0.01526 0.40985 8.43882
128 5LJ0 6XX 0.01913 0.42237 8.46154
129 3GYT DL4 0.02023 0.41438 8.60656
130 3MBG FAD 0.006598 0.43767 9.35252
131 3B6C SDN 0.0001521 0.50365 9.40171
132 4IEH 1E9 0.02178 0.41752 9.46746
133 3KFC 61X 0.03016 0.41693 9.48617
134 3L0E G58 0.04235 0.40497 9.48617
135 3O55 FAD 0.006071 0.4414 9.6
136 1OQC FAD 0.02001 0.41248 9.6
137 5W10 CMP 0.02472 0.40111 9.74359
138 5LMK 6ZK 0.01798 0.40131 10.4377
139 3QKD HI0 0.02154 0.41809 10.4972
140 4MNS 2AX 0.01917 0.43901 10.6918
141 4RC8 STE 0.0363 0.40218 10.8108
142 2V3B FAD 0.01686 0.43071 10.9091
143 1YMT DR9 0.03927 0.40873 10.9756
144 3KUD GDP 0.006388 0.43877 11.1111
145 3FAL LO2 0.0445 0.40678 11.2782
146 3FAL REA 0.02236 0.40533 11.2782
147 2J4D FAD 0.03952 0.40457 11.4286
148 5UQW GDP 0.007562 0.43231 11.6402
149 4Q9N NAI 0.03343 0.41092 12.7517
150 4KM2 TOP 0.04256 0.40129 12.8492
151 4KM2 ATR 0.0406 0.40129 12.8492
152 3KMZ EQO 0.03214 0.40927 13.5338
153 3BC1 GNP 0.01499 0.42353 13.5593
154 4XB4 45D 0.03346 0.41185 14.4737
155 1HN4 MJI 0.04373 0.42931 14.5038
156 1WWZ ACO 0.03581 0.41104 15.0943
157 2RKN LP3 0.02189 0.40121 15.5844
158 3IPQ 965 0.03904 0.40991 24
159 1FM9 570 0.03667 0.40419 24
160 3BEJ MUF 0.03604 0.40338 24
161 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.04869 0.41375 24.898
162 2HFP NSI 0.02721 0.40546 28.5714
Pocket No.: 3; Query (leader) PDB : 4OKD; Ligand: GLC GLC GLC; Similar sites found: 34
This union binding pocket(no: 3) in the query (biounit: 4okd.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NP7 FAD 0.03372 0.40866 1.63599
2 4L9Z COA 0.04369 0.40247 1.76991
3 3FUR Z12 0.01242 0.44283 1.83824
4 2UUU FAD 0.04274 0.4195 2.39726
5 1DEK DGP 0.02474 0.404 2.48963
6 2CE7 ADP 0.01859 0.40427 2.52101
7 4CNE SAH 0.01937 0.41075 2.62172
8 4QOM PYG 0.02537 0.40127 2.64766
9 1MLY ACZ PLP 0.02519 0.40836 2.7972
10 1O5I NAD 0.01383 0.41532 2.81124
11 1BOB ACO 0.04285 0.40097 2.8125
12 4QAR ADE 0.0162 0.40784 2.98507
13 2AG8 NAP 0.02268 0.40458 3.04183
14 5X2Z 3LM 0.04122 0.40068 3.76884
15 3HDY FDA 0.03391 0.42585 3.77834
16 3HDY GDU 0.03469 0.42585 3.77834
17 1LC8 33P 0.04071 0.40184 3.84615
18 1XTQ GDP 0.03067 0.40172 3.9548
19 3DNT ATP 0.02692 0.40274 4.09091
20 5WDR GNP 0.01053 0.4338 4.09357
21 5N87 N66 0.03893 0.40629 4.47284
22 1ION ADP 0.02212 0.40284 4.93827
23 1YKF NAP 0.04617 0.40109 5.11364
24 4OCJ NDG 0.01868 0.42684 5.27704
25 5CCM 4ZX 0.03051 0.42245 5.37383
26 5CCM SAM 0.02575 0.42245 5.37383
27 2B3D FAD 0.0243 0.41355 5.88235
28 3ITJ FAD 0.04524 0.41305 7.69231
29 1NVV GNP 0.009463 0.43728 7.83133
30 5THQ NDP 0.04268 0.40024 8.82353
31 3U5S FAD 0.01604 0.42056 9.52381
32 1TW4 CHD 0.0214 0.4019 10.4
33 3Q2H QHF 0.02485 0.40078 10.7744
34 4K38 SAM 0.02142 0.40437 11.1111
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