4B3S

Crystal structure of the 30S ribosome in complex with compound 37

> Summary

Summary for 4B3S

Related4B3M 4B3R 4B3T
Descriptor30S RIBOSOMAL PROTEIN S2, 30S RIBOSOMAL PROTEIN S3, 30S RIBOSOMAL PROTEIN S4, 30S RIBOSOMAL PROTEIN S5, 30S RIBOSOMAL PROTEIN S6, 30S RIBOSOMAL PROTEIN S7, 30S RIBOSOMAL PROTEIN S8, 30S RIBOSOMAL PROTEIN S9, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, 30S RIBOSOMAL PROTEIN S12, 30S RIBOSOMAL PROTEIN S13, 30S RIBOSOMAL PROTEIN S14 TYPE Z, 30S RIBOSOMAL PROTEIN S15, 30S RIBOSOMAL PROTEIN S16, 30S RIBOSOMAL PROTEIN S17, 30S RIBOSOMAL PROTEIN S18, 30S RIBOSOMAL PROTEIN S19, 30S RIBOSOMAL PROTEIN S20, 30S RIBOSOMAL PROTEIN THX/RNA Complex, (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Functional Keywordsribosome, antibiotic
Biological sourceTHERMUS THERMOPHILUS HB8
Total number of polymer chains23
Total molecular weight794302.2
Authors
Primary citation
Perez-Fernandez, D.,Shcherbakov, D.,Matt, T.,Leong, N.C.,Kudyba, I.,Duscha, S.,Boukari, H.,Patak, R.,Dubakka, S.R.,Lang, K.,Meyer, M.,Akbergenov, R.,Freihofer, P.,Vaddi, S.,Thommes, P.,Ramakrishnan, V.,Vasella, A.,Bottger, E.C.
4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5:3112-, 2014
PubMed: 24473108
DOI: 10.1038/NCOMMS4112
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.15 Å)
?

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliersRNA backbone328.0%9.0%1.8%0.60MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4b3s
no rotation
Molmil generated image of 4b3s
rotated about x axis by 90°
Molmil generated image of 4b3s
rotated about y axis by 90°

> Structural details

Entity

Chain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
A16S RIBOSOMAL RNApolymer1521493653.31
GenBank (AP008226.1)
THERMUS THERMOPHILUS HB8
B30S RIBOSOMAL PROTEIN S2polymer25629317.91
UniProt (P80371)
Pfam (PF00318)
THERMUS THERMOPHILUS HB8
C30S RIBOSOMAL PROTEIN S3polymer23926751.31
UniProt (P80372)
Pfam (PF00189)
Pfam (PF07650)
THERMUS THERMOPHILUS HB8
D30S RIBOSOMAL PROTEIN S4polymer20824242.41
UniProt (P80373)
Pfam (PF00163)
Pfam (PF01479)
THERMUS THERMOPHILUS HB8
E30S RIBOSOMAL PROTEIN S5polymer16117452.41
UniProt (Q5SHQ5)
Pfam (PF00333)
Pfam (PF03719)
THERMUS THERMOPHILUS HB8
F30S RIBOSOMAL PROTEIN S6polymer10111988.91
UniProt (Q5SLP8)
Pfam (PF01250)
THERMUS THERMOPHILUS HB8TS9
G30S RIBOSOMAL PROTEIN S7polymer15517919.91
UniProt (P17291)
Pfam (PF00177)
THERMUS THERMOPHILUS HB8
H30S RIBOSOMAL PROTEIN S8polymer13815868.71
UniProt (Q5SHQ2)
Pfam (PF00410)
THERMUS THERMOPHILUS HB8
I30S RIBOSOMAL PROTEIN S9polymer12814429.81
UniProt (P80374)
Pfam (PF00380)
THERMUS THERMOPHILUS HB8
J30S RIBOSOMAL PROTEIN S10polymer10411823.91
UniProt (Q5SHN7)
Pfam (PF00338)
THERMUS THERMOPHILUS HB8
K30S RIBOSOMAL PROTEIN S11polymer12913738.01
UniProt (P80376)
Pfam (PF00411)
THERMUS THERMOPHILUS HB8
L30S RIBOSOMAL PROTEIN S12polymer13214637.51
UniProt (Q5SHN3)
Pfam (PF00164)
THERMUS THERMOPHILUS HB8
M30S RIBOSOMAL PROTEIN S13polymer12614339.01
UniProt (P80377)
Pfam (PF00416)
THERMUS THERMOPHILUS HB8
N30S RIBOSOMAL PROTEIN S14 TYPE Zpolymer607027.61
UniProt (Q5SHQ1)
Pfam (PF00253)
THERMUS THERMOPHILUS HB8
O30S RIBOSOMAL PROTEIN S15polymer8810447.31
UniProt (Q5SJ76)
Pfam (PF00312)
THERMUS THERMOPHILUS HB8
P30S RIBOSOMAL PROTEIN S16polymer8810410.11
UniProt (Q5SJH3)
Pfam (PF00886)
THERMUS THERMOPHILUS HB8
Q30S RIBOSOMAL PROTEIN S17polymer10412193.61
UniProt (Q5SHP7)
Pfam (PF00366)
THERMUS THERMOPHILUS HB8
R30S RIBOSOMAL PROTEIN S18polymer8810244.41
UniProt (Q5SLQ0)
Pfam (PF01084)
THERMUS THERMOPHILUS HB8
S30S RIBOSOMAL PROTEIN S19polymer9210474.41
UniProt (Q5SHP2)
Pfam (PF00203)
THERMUS THERMOPHILUS HB8
T30S RIBOSOMAL PROTEIN S20polymer10611722.21
UniProt (P80380)
Pfam (PF01649)
THERMUS THERMOPHILUS HB8
V30S RIBOSOMAL PROTEIN THXpolymer263218.91
UniProt (Q5SIH3)
Pfam (PF17070)
THERMUS THERMOPHILUS HB8
W5'-R(*UP*UP*CP*AP*AP*AP)-3'polymer61860.21
THERMUS THERMOPHILUS HB8MRNA
Z5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*CP)-3'polymer165161.21
THERMUS THERMOPHILUS HB8ANTICODON STEM LOOP ASL
MAGNESIUM IONnon-polymer24.3166
POTASSIUM IONnon-polymer39.113
(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDEnon-polymer705.81
ZINC IONnon-polymer65.42

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains23
Total molecular weight788922.8
Non-Polymers*Number of molecules182
Total molecular weight5379.4
All*Total molecular weight794302.2
*Water molecules are not included.

> Experimental details

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (3.15 Å)

Cell axes401.150401.150173.640
Cell angles90.0090.0090.00
SpacegroupP 41 21 2
Resolution limits40.00 - 3.15
the highest resolution shell value -
R-factor0.2104
R-work0.21040
R-free0.24730
RMSD bond length0.007
RMSD bond angle1.239

Data Collection Statistics

Resolution limits40.00 - 3.15
the highest resolution shell value -
Number of reflections240081
Rmerge_l_obs0.170
the highest resolution shell value0.960
Completeness99.2
Redundancy4
the highest resolution shell value4.1
I/sigma(I)2.1

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
Annotated Information is extracted from Literature Info*

> Functional details

?

Functional Information from GO Data

ChainGOidnamespacecontents
J0005840cellular_componentribosome
J0019843molecular_functionrRNA binding
J0003735molecular_functionstructural constituent of ribosome
J0000049molecular_functiontRNA binding
J0006412biological_processtranslation
K0005840cellular_componentribosome
K0019843molecular_functionrRNA binding
K0003735molecular_functionstructural constituent of ribosome
K0006412biological_processtranslation
L0015935cellular_componentsmall ribosomal subunit
L0019843molecular_functionrRNA binding
L0003735molecular_functionstructural constituent of ribosome
L0000049molecular_functiontRNA binding
L0006412biological_processtranslation
M0005840cellular_componentribosome
M0019843molecular_functionrRNA binding
M0003735molecular_functionstructural constituent of ribosome
M0000049molecular_functiontRNA binding
M0006412biological_processtranslation
N0005840cellular_componentribosome
N0019843molecular_functionrRNA binding
N0003735molecular_functionstructural constituent of ribosome
N0008270molecular_functionzinc ion binding
N0006412biological_processtranslation
O0005840cellular_componentribosome
O0019843molecular_functionrRNA binding
O0003735molecular_functionstructural constituent of ribosome
O0006412biological_processtranslation
P0005840cellular_componentribosome
P0003735molecular_functionstructural constituent of ribosome
P0006412biological_processtranslation
Q0005840cellular_componentribosome
Q0019843molecular_functionrRNA binding
Q0003735molecular_functionstructural constituent of ribosome
Q0006412biological_processtranslation
R0005840cellular_componentribosome
R0019843molecular_functionrRNA binding
R0003735molecular_functionstructural constituent of ribosome
R0006412biological_processtranslation
S0015935cellular_componentsmall ribosomal subunit
S0019843molecular_functionrRNA binding
S0003735molecular_functionstructural constituent of ribosome
S0006412biological_processtranslation
T0005840cellular_componentribosome
T0019843molecular_functionrRNA binding
T0003735molecular_functionstructural constituent of ribosome
T0006412biological_processtranslation
B0015935cellular_componentsmall ribosomal subunit
B0019843molecular_functionrRNA binding
B0003735molecular_functionstructural constituent of ribosome
B0006412biological_processtranslation
C0015935cellular_componentsmall ribosomal subunit
C0003729molecular_functionmRNA binding
C0019843molecular_functionrRNA binding
C0003735molecular_functionstructural constituent of ribosome
C0006412biological_processtranslation
D0015935cellular_componentsmall ribosomal subunit
D0046872molecular_functionmetal ion binding
D0019843molecular_functionrRNA binding
D0003735molecular_functionstructural constituent of ribosome
D0006412biological_processtranslation
E0015935cellular_componentsmall ribosomal subunit
E0019843molecular_functionrRNA binding
E0003735molecular_functionstructural constituent of ribosome
E0006412biological_processtranslation
F0005840cellular_componentribosome
F0019843molecular_functionrRNA binding
F0003735molecular_functionstructural constituent of ribosome
F0006412biological_processtranslation
G0015935cellular_componentsmall ribosomal subunit
G0019843molecular_functionrRNA binding
G0003735molecular_functionstructural constituent of ribosome
G0000049molecular_functiontRNA binding
G0006412biological_processtranslation
H0005840cellular_componentribosome
H0019843molecular_functionrRNA binding
H0003735molecular_functionstructural constituent of ribosome
H0006412biological_processtranslation
I0005840cellular_componentribosome
I0019843molecular_functionrRNA binding
I0003735molecular_functionstructural constituent of ribosome
I0000049molecular_functiontRNA binding
I0006412biological_processtranslation
V0005840cellular_componentribosome
V0019843molecular_functionrRNA binding
?

Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC13BINDING SITE FOR RESIDUE MG A 2545
ChainResidue
AC684
AG686
AC1432

AC22BINDING SITE FOR RESIDUE MG A 2547
ChainResidue
AG564
AG741

AC31BINDING SITE FOR RESIDUE MG A 2548
ChainResidue
AG304

AC44BINDING SITE FOR RESIDUE MG A 2549
ChainResidue
AC58
AA59
AU382
AG383

AC55BINDING SITE FOR RESIDUE MG A 2550
ChainResidue
AG11
AU12
AG21
AG22
AC23

AC63BINDING SITE FOR RESIDUE MG A 2551
ChainResidue
AG953
AU1339
AC1340

AC72BINDING SITE FOR RESIDUE MG A 2552
ChainResidue
AG371
AG372

AC82BINDING SITE FOR RESIDUE MG A 2553
ChainResidue
AC732
AG733

AC92BINDING SITE FOR RESIDUE MG A 2554
ChainResidue
AA667
AG668

BC12BINDING SITE FOR RESIDUE MG A 2555
ChainResidue
AA749
AC794

BC21BINDING SITE FOR RESIDUE MG A 2556
ChainResidue
AA751

BC32BINDING SITE FOR RESIDUE MG A 2557
ChainResidue
AU755
AG756

BC41BINDING SITE FOR RESIDUE MG A 2558
ChainResidue
AA760

BC52BINDING SITE FOR RESIDUE MG A 2559
ChainResidue
AA763
AG783

BC63BINDING SITE FOR RESIDUE MG A 2560
ChainResidue
AG560
AC561
AC800

BC71BINDING SITE FOR RESIDUE MG A 2561
ChainResidue
AG831

BC81BINDING SITE FOR RESIDUE MG A 2562
ChainResidue
AG357

BC93BINDING SITE FOR RESIDUE MG A 2563
ChainResidue
AG489
AA492
AA493

CC13BINDING SITE FOR RESIDUE MG A 2564
ChainResidue
AA542
AU543
AC545

CC21BINDING SITE FOR RESIDUE MG A 2566
ChainResidue
AA555

CC32BINDING SITE FOR RESIDUE MG A 2567
ChainResidue
AG21
AA556

CC43BINDING SITE FOR RESIDUE MG A 2568
ChainResidue
AC48
AU49
AG108

CC54BINDING SITE FOR RESIDUE MG A 2569
ChainResidue
AG578
AC579
AG580
AU581

CC63BINDING SITE FOR RESIDUE MG A 2570
ChainResidue
AU1065
AU1068
AMG

CC71BINDING SITE FOR RESIDUE MG A 2571
ChainResidue
AA841

CC83BINDING SITE FOR RESIDUE MG A 2572
ChainResidue
AG862
AG863
AU888

CC91BINDING SITE FOR RESIDUE MG A 2573
ChainResidue
AG1367

DC11BINDING SITE FOR RESIDUE MG A 2574
ChainResidue
AA914

DC21BINDING SITE FOR RESIDUE MG A 2575
ChainResidue
AC911

DC32BINDING SITE FOR RESIDUE MG A 2576
ChainResidue
AG1352
AG1353

DC42BINDING SITE FOR RESIDUE MG A 2578
ChainResidue
AG570
AG571

DC52BINDING SITE FOR RESIDUE MG A 2579
ChainResidue
AG921
AG922

DC62BINDING SITE FOR RESIDUE MG A 2580
ChainResidue
AA941
AU1180

DC75BINDING SITE FOR RESIDUE MG A 2581
ChainResidue
AC956
AC957
AU958
AG1202
AG1203

DC81BINDING SITE FOR RESIDUE MG A 2582
ChainResidue
AC957

DC94BINDING SITE FOR RESIDUE MG A 2583
ChainResidue
AG1035
AC1036
AG1178
AK

EC13BINDING SITE FOR RESIDUE MG A 2584
ChainResidue
AC1036
AG1178
AG1179

EC22BINDING SITE FOR RESIDUE MG A 2585
ChainResidue
AG1438
AG1439

EC36BINDING SITE FOR RESIDUE MG A 2586
ChainResidue
AG294
AA295
AG541
AU543
AG549
AMG

EC41BINDING SITE FOR RESIDUE MG A 2587
ChainResidue
AG319

EC54BINDING SITE FOR RESIDUE MG A 2588
ChainResidue
AU554
AA555
AA556
AA557

EC62BINDING SITE FOR RESIDUE MG A 2589
ChainResidue
AA591
AA592

EC71BINDING SITE FOR RESIDUE MG A 2590
ChainResidue
AG683

EC82BINDING SITE FOR RESIDUE MG A 2591
ChainResidue
AA53
AA348

EC92BINDING SITE FOR RESIDUE MG A 2592
ChainResidue
AU1047
AC1048

FC13BINDING SITE FOR RESIDUE MG A 2593
ChainResidue
AA842
AC843
AG1061

FC23BINDING SITE FOR RESIDUE MG A 2594
ChainResidue
AG1050
AG1076
AG1369

FC32BINDING SITE FOR RESIDUE MG A 2595
ChainResidue
AU1077
AG1090

FC43BINDING SITE FOR RESIDUE MG A 2596
ChainResidue
AU1065
AU1068
AMG

FC51BINDING SITE FOR RESIDUE MG A 2597
ChainResidue
AG281

FC61BINDING SITE FOR RESIDUE MG A 2598
ChainResidue
AG1205

FC71BINDING SITE FOR RESIDUE MG A 2599
ChainResidue
AG1247

FC81BINDING SITE FOR RESIDUE MG A 2600
ChainResidue
AG880

FC95BINDING SITE FOR RESIDUE MG A 2601
ChainResidue
AC901
AG902
AG904
AU1372
AU1373

GC11BINDING SITE FOR RESIDUE MG A 2602
ChainResidue
AG1503

GC25BINDING SITE FOR RESIDUE MG A 2603
ChainResidue
AU1475
AA1476
AA1477
AG1481
AG1482

GC31BINDING SITE FOR RESIDUE MG A 2604
ChainResidue
AA94

GC41BINDING SITE FOR RESIDUE MG A 2605
ChainResidue
AU45

GC52BINDING SITE FOR RESIDUE MG A 2606
ChainResidue
AU37
AG38

GC62BINDING SITE FOR RESIDUE MG A 2607
ChainResidue
AG175
AA201

GC74BINDING SITE FOR RESIDUE MG A 2608
ChainResidue
AG183
AC184
AG193
AU194

GC81BINDING SITE FOR RESIDUE MG A 2609
ChainResidue
AC519

GC94BINDING SITE FOR RESIDUE MG A 2610
ChainResidue
AA109
AG110
AU111
AG284

HC11BINDING SITE FOR RESIDUE MG A 2611
ChainResidue
AC347

HC24BINDING SITE FOR RESIDUE MG A 2612
ChainResidue
AC367
AU370
AG371
AU382

HC32BINDING SITE FOR RESIDUE MG A 2613
ChainResidue
AG405
AA426

HC42BINDING SITE FOR RESIDUE MG A 2614
ChainResidue
AA765
AA777

HC55BINDING SITE FOR RESIDUE MG A 2615
ChainResidue
AG1035
AG1040
AC1041
AG1179
AU1180

HC63BINDING SITE FOR RESIDUE MG A 2616
ChainResidue
AC1284
AG1285
VASP4

HC74BINDING SITE FOR RESIDUE MG A 2617
ChainResidue
AG46
AC361
AU362
AG389

HC82BINDING SITE FOR RESIDUE MG A 2618
ChainResidue
AG140
AG141

HC92BINDING SITE FOR RESIDUE MG A 2619
ChainResidue
AG139
AG140

IC12BINDING SITE FOR RESIDUE MG A 2620
ChainResidue
AU176
AG177

IC23BINDING SITE FOR RESIDUE MG A 2621
ChainResidue
AU771
AU772
AA775

IC33BINDING SITE FOR RESIDUE MG A 2622
ChainResidue
AU772
AA773
AG774

IC43BINDING SITE FOR RESIDUE MG A 2623
ChainResidue
AU1505
AG1506
AG1507

IC54BINDING SITE FOR RESIDUE MG A 2624
ChainResidue
AC501
AG513
LPRO45
WC3

IC63BINDING SITE FOR RESIDUE MG A 2625
ChainResidue
AC501
AG512
LASN46

IC71BINDING SITE FOR RESIDUE MG A 2626
ChainResidue
AG254

IC83BINDING SITE FOR RESIDUE MG A 2627
ChainResidue
AG250
AG261
QILE64

IC94BINDING SITE FOR RESIDUE MG A 2628
ChainResidue
AC800
AG801
AC1504
AU1505

JC12BINDING SITE FOR RESIDUE MG A 2629
ChainResidue
AC778
AU1483

JC24BINDING SITE FOR RESIDUE MG A 2630
ChainResidue
AG69
AG70
AG91
AU92

JC34BINDING SITE FOR RESIDUE MG A 2631
ChainResidue
AG558
AG559
AG741
AC857

JC43BINDING SITE FOR RESIDUE MG A 2632
ChainResidue
AA59
AC381
AU382

JC53BINDING SITE FOR RESIDUE MG A 2633
ChainResidue
AA33
AG391
AC393

JC65BINDING SITE FOR RESIDUE MG A 2634
ChainResidue
AU12
AU13
AC509
AG510
AA891

JC73BINDING SITE FOR RESIDUE MG A 2635
ChainResidue
AG879
AG880
AU1489

JC84BINDING SITE FOR RESIDUE MG A 2636
ChainResidue
AU816
AC817
AG829
AG830

JC94BINDING SITE FOR RESIDUE MG A 2637
ChainResidue
AA546
AC547
LARG12
QTYR31

KC14BINDING SITE FOR RESIDUE MG A 2638
ChainResidue
AC911
AA912
AC913
AG1324

KC23BINDING SITE FOR RESIDUE MG A 2639
ChainResidue
AU898
AG899
AU1375

KC33BINDING SITE FOR RESIDUE MG A 2640
ChainResidue
AG15
AA16
AU897

KC42BINDING SITE FOR RESIDUE MG A 2641
ChainResidue
AC949
JLYS56

KC54BINDING SITE FOR RESIDUE MG A 2642
ChainResidue
AU1055
AG1056
AG1064
AU1065

KC63BINDING SITE FOR RESIDUE MG A 2643
ChainResidue
AU932
AC1207
SARG80

KC76BINDING SITE FOR RESIDUE MG A 2644
ChainResidue
AC114
AG117
AU118
AG119
AC230
AG231

KC82BINDING SITE FOR RESIDUE MG A 2645
ChainResidue
AU118
AG119

KC96BINDING SITE FOR RESIDUE MG A 2646
ChainResidue
AU1487
AG1488
AU1489
AU1499
AG1500
AC1501

LC16BINDING SITE FOR RESIDUE MG A 2647
ChainResidue
AA1477
AG1481
AG1482
AA1484
AG1485
AMG

LC24BINDING SITE FOR RESIDUE MG A 2648
ChainResidue
AA1476
AA1477
AG1485
AG1498

LC35BINDING SITE FOR RESIDUE MG A 2649
ChainResidue
AA1378
AC1379
AA1380
AG1383
AC1384

LC44BINDING SITE FOR RESIDUE MG A 2650
ChainResidue
AG61
AU62
AG98
AC99

LC52BINDING SITE FOR RESIDUE MG A 2651
ChainResidue
AC275
QSER38

LC64BINDING SITE FOR RESIDUE MG A 2652
ChainResidue
AU247
AG261
AC263
QLYS66

LC72BINDING SITE FOR RESIDUE MG A 2653
ChainResidue
AG312
AG313

LC83BINDING SITE FOR RESIDUE MG A 2654
ChainResidue
AC309
AA310
AG313

LC93BINDING SITE FOR RESIDUE MG A 2655
ChainResidue
AA324
AG327
AG328

MC12BINDING SITE FOR RESIDUE MG A 2656
ChainResidue
AA530
AG531

MC23BINDING SITE FOR RESIDUE MG A 2657
ChainResidue
AG444
AA445
AA446

MC34BINDING SITE FOR RESIDUE MG A 2658
ChainResidue
AC443
AG444
AA445
AG465

MC45BINDING SITE FOR RESIDUE MG A 2659
ChainResidue
AA546
AC547
AU548
AG549
AG550

MC54BINDING SITE FOR RESIDUE MG A 2660
ChainResidue
AG587
AU588
AG616
AC617

MC64BINDING SITE FOR RESIDUE MG A 2661
ChainResidue
AG813
AU814
AG832
AC833

MC72BINDING SITE FOR RESIDUE MG A 2662
ChainResidue
AA866
AG867

MC82BINDING SITE FOR RESIDUE MG A 2663
ChainResidue
AA1305
AC1344

MC94BINDING SITE FOR RESIDUE MG A 2664
ChainResidue
AG1205
AA1206
AC1303
MGLN101

NC12BINDING SITE FOR RESIDUE MG A 2665
ChainResidue
AA1300
AC1303

NC23BINDING SITE FOR RESIDUE MG A 2666
ChainResidue
AG1064
AU1065
AG1066

NC33BINDING SITE FOR RESIDUE MG A 2667
ChainResidue
AA1219
AA1280
AC1316

NC43BINDING SITE FOR RESIDUE MG A 2668
ChainResidue
AG903
AU1519
AC1520

NC52BINDING SITE FOR RESIDUE MG A 2669
ChainResidue
AC917
GGLN105

NC63BINDING SITE FOR RESIDUE MG A 2670
ChainResidue
AA942
AG1178
AG1179

NC73BINDING SITE FOR RESIDUE K A 2671
ChainResidue
AG288
AU299
AG300

NC83BINDING SITE FOR RESIDUE K A 2672
ChainResidue
AU127
AU224
AG225

NC91BINDING SITE FOR RESIDUE K A 2673
ChainResidue
AU840

OC11BINDING SITE FOR RESIDUE K A 2674
ChainResidue
AG559

OC23BINDING SITE FOR RESIDUE K A 2675
ChainResidue
AG252
AG253
AG261

OC33BINDING SITE FOR RESIDUE K A 2676
ChainResidue
AU495
AU517
AA518

OC42BINDING SITE FOR RESIDUE K A 2677
ChainResidue
AG540
AG541

OC52BINDING SITE FOR RESIDUE K A 2678
ChainResidue
AG1166
AG1167

OC62BINDING SITE FOR RESIDUE K A 2679
ChainResidue
AG242
AG273

OC72BINDING SITE FOR RESIDUE K A 2680
ChainResidue
AA1313
AA1314

OC83BINDING SITE FOR RESIDUE K A 2681
ChainResidue
AU122
AG226
AG227

OC92BINDING SITE FOR RESIDUE K A 2682
ChainResidue
AG221
AG222

PC14BINDING SITE FOR RESIDUE K A 2683
ChainResidue
AC1036
AU1177
AG1178
AMG

PC22BINDING SITE FOR RESIDUE MG A 2684
ChainResidue
AC603
AA604

PC33BINDING SITE FOR RESIDUE MG A 2685
ChainResidue
AG78
AU79
AU81

PC43BINDING SITE FOR RESIDUE MG A 2686
ChainResidue
AG903
AG904
AMG

PC54BINDING SITE FOR RESIDUE MG A 2687
ChainResidue
AA1480
AG1481
AA1484
AMG

PC67BINDING SITE FOR RESIDUE MG A 2688
ChainResidue
AA1477
AG1481
AG1482
AU1483
AA1484
AG1485
AMG

PC72BINDING SITE FOR RESIDUE MG A 2689
ChainResidue
AA1092
AA1093

PC83BINDING SITE FOR RESIDUE MG A 2690
ChainResidue
AC452
AG453
AC455

PC94BINDING SITE FOR RESIDUE MG A 2691
ChainResidue
AC1082
AA1084
AC1085
BMG

QC13BINDING SITE FOR RESIDUE MG A 2692
ChainResidue
AG567
AG568
AG741

QC24BINDING SITE FOR RESIDUE MG A 2693
ChainResidue
AA293
AG294
AG541
AMG

QC31BINDING SITE FOR RESIDUE MG A 2694
ChainResidue
AG476

QC41BINDING SITE FOR RESIDUE MG A 2695
ChainResidue
AG560

QC52BINDING SITE FOR RESIDUE MG A 2696
ChainResidue
AA1469
AA1470

QC62BINDING SITE FOR RESIDUE MG A 2697
ChainResidue
AG1387
ARPO

QC74BINDING SITE FOR RESIDUE MG A 2698
ChainResidue
AU1388
AU1472
AC1473
AG1494

QC81BINDING SITE FOR RESIDUE MG A 2700
ChainResidue
AG1102

QC92BINDING SITE FOR RESIDUE MG A 2705
ChainResidue
AG1423
TTHR35

RC11BINDING SITE FOR RESIDUE MG A 2709
ChainResidue
AG1497

RC213BINDING SITE FOR RESIDUE RPO A 2800
ChainResidue
AG1387
AU1388
AC1389
AA1390
AC1391
AC1467
AG1468
AA1469
AA1470
AG1471
AU1472
AMG
LTHR41

RC32BINDING SITE FOR RESIDUE MG B 1235
ChainResidue
AMG
BARG96

RC45BINDING SITE FOR RESIDUE ZN D 1209
ChainResidue
DCYS8
DCYS11
DLEU18
DCYS25
DCYS30

RC52BINDING SITE FOR RESIDUE MG E 1151
ChainResidue
EGLU67
EPRO69

RC63BINDING SITE FOR RESIDUE MG F 1102
ChainResidue
FARG80
FARG82
FVAL85

RC73BINDING SITE FOR RESIDUE MG H 1139
ChainResidue
HARG14
HHIS82
HILE83

RC84BINDING SITE FOR RESIDUE MG K 1120
ChainResidue
AG674
AU675
KASN26
KGLY52

RC91BINDING SITE FOR RESIDUE MG K 1121
ChainResidue
KARG120

SC13BINDING SITE FOR RESIDUE MG L 1125
ChainResidue
AG1468
LVAL40
LTHR41

SC23BINDING SITE FOR RESIDUE MG L 1126
ChainResidue
LVAL21
LALA23
LALA27

SC35BINDING SITE FOR RESIDUE MG M 1126
ChainResidue
AU1311
MTHR20
MILE22
MTYR23
MILE25

SC45BINDING SITE FOR RESIDUE ZN N 1061
ChainResidue
NCYS23
NCYS26
NARG28
NCYS39
NCYS42

SC52BINDING SITE FOR RESIDUE MG T 1100
ChainResidue
TSER11
TALA12

?

Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
RPO_4b3s_A_280015(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE binding site
ChainResidueligand
AG1405-C1409RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
AG1489-C1496RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
LTHR40-PRO41RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE

?

Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
?

Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
?

Catalytic Information from CSA

site_idNumber of ResiduesDetails
?

Catalytic Information from CATRES

site_idNumber of ResiduesDetails

> Sequence Neighbor

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