3PIO

crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit

• Total interactions analyzed: 435
• Total true interactions: 30
• Strongest Interaction:
  • Chains: H-M
  • Int. Res.: 84
  • Norm. En. per Res.: -4.4931
• Hub Node: B(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
B-G	0.0	0.0	-32.9105	-32.9105	14	2	1	1045	0	0	1
B-H	-13.9127	1.1231	-26.3011	-39.0907	15	2	1	880	0	5	4
B-K	0.0	6.8129	-19.6418	-12.8289	16	0	0	971	0	1	7
B-M	-5.7365	18.6987	-204.998	-192.0358	90	29	8	10852	2	15	24
C-I	0.0	-9.723	-51.4179	-61.1409	40	6	0	2739	0	12	14
C-N	0.0	0.0	-1.1202	-1.1202	10	0	0	213	0	0	2
C-2	0.0	0.8	-0.0554	0.7446	2	0	0	34	0	0	3
E-4	0.0	0.0	-1.7367	-1.7367	5	0	0	179	0	0	1
F-J	0.0	0.0	-0.0627	-0.0627	4	0	0	26	0	0	1
F-S	0.0	0.0	-19.7552	-19.7552	16	0	0	842	0	1	1
G-N	-3.7601	-3.4794	-90.515	-97.7545	38	6	3	4505	0	7	26
G-O	0.0	0.0	-0.2963	-0.2963	6	0	0	121	0	2	1
G-4	0.0	0.0	-0.2178	-0.2178	4	0	0	41	0	3	1
H-M	-63.0539	-87.9984	-226.368	-377.4202	84	25	2	10156	12	43	46
I-N	0.0	0.0	-0.0145	-0.0145	4	0	0	14	0	0	1
I-O	0.0	27.5488	-28.7485	-1.1997	15	3	0	1242	0	0	7
I-3	-4.1469	10.1019	-111.051	-105.096	52	38	1	6813	0	4	44
J-S	-4.3546	17.4321	-135.351	-122.2735	93	4	0	7340	0	41	37
J-T	0.0	0.0	-4.2964	-4.2964	6	0	0	255	0	1	1
J-4	0.0	0.0	-0.5003	-0.5003	5	0	0	98	0	2	6
K-M	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0
K-P	0.0	-16.7231	-5.7178	-22.4409	20	0	0	504	1	3	4
K-Z	0.0	10.1061	-63.3691	-53.263	33	6	3	3089	0	3	9
L-T	0.0	0.0	-2.859	-2.859	10	0	0	234	0	0	0
N-O	-7.9016	-3.0132	-186.897	-197.8118	93	14	6	8422	0	24	37
N-Z	0.0	2.686	-4.2835	-1.5975	11	0	0	454	0	0	4
P-Z	-9.1236	25.9081	-99.7831	-82.9985	53	16	6	4934	2	16	25
Q-V	-9.3774	-6.7702	-80.4038	-96.5514	42	5	6	4087	0	10	12
T-3	0.0	0.0	-0.0101	-0.0101	3	0	0	7	0	2	1
1-3	0.0	1.4485	-11.1247	-9.6762	19	0	0	859	0	3	6

Interface residues

• B-G: ARG149B, GLN107G, GLN143B, GLY105G, GLY108G, GLY153B, LEU110G, LYS152B, LYS154B, PRO147B, THR104G, TYR106G, TYR151B, VAL150B
• B-H: ALA20B, ALA84H, ARG19B, ARG83H, ASN17B, ASP18B, ASP85H, GLN13B, GLY86H, ILE21B, LYS16B, LYS82H, PRO22B, SER87H, TRP15B
• B-K: ALA191B, ASN192B, GLN114B, GLY110B, GLY112B, GLY4K, HIS159B, HIS3K, LYS109B, LYS111B, LYS118B, LYS5K, MET160B, MET162B, SER108B, THR113B
• B-M: ALA191B, ALA20B, ALA52B, ALA55B, ALA84M, ARG14M, ARG176B, ARG19B, ARG22M, ARG40M, ARG57B, ARG63M, ARG76B, ARG79B, ARG9M, ASN17B, ASN180B, ASN192B, ASN8M, ASP18B, ASP19M, GLN13B, GLN18M, GLN2M, GLU11M, GLU174B, GLU179B, GLU17M, GLY106B, GLY10B, GLY10M, GLY15M, GLY190B, GLY193B, GLY194B, GLY29B, GLY61M, GLY6B, HIS20M, HIS4M, ILE14B, ILE16M, ILE175B, ILE182B, ILE21B, ILE5M, ILE77B, ILE7M, ILE9B, LEU12M, LEU13M, LEU181B, LEU183B, LEU195B, LEU27B, LEU5B, LEU87M, LYS16B, LYS54B, LYS58B, LYS64M, LYS6M, LYS8B, MET11B, PHE81M, PHE83M, PRO30B, PRO53B, PRO82M, PRO86M, SER60M, SER62M, SER65M, SER85M, THR107B, THR12B, THR21M, THR24B, THR37M, THR3M, THR7B, TRP15B, TYR51B, VAL173B, VAL184B, VAL196B, VAL23B, VAL25B, VAL26B, VAL39M
• C-I: ARG111C, ARG13I, ARG16I, ARG182C, ARG18I, ARG21I, ASN23C, ASP15I, ASP184C, GLU146C, GLU29C, GLY11I, GLY22I, GLY25C, GLY44I, HIS183C, HIS28C, LEU102C, LEU181C, LEU27C, LEU35C, LYS14I, LYS17I, MET106C, PHE84C, PRO20C, SER110C, SER12I, SER24C, THR32C, TYR178C, TYR91C, TYR93C, VAL177C, VAL19I, VAL22C, VAL26C, VAL30C, VAL31C, VAL99C
• C-N: ALA43C, ARG39C, ARG3N, ARG89C, PRO2N, PRO86C, SER44C, THR42C, THR45C, VAL82C
• C-2: LYS372, LYS53C
• E-4: ALA156E, ASN294, LYS172E, LYS314, VAL304
• F-J: ARG61J, ASN92F, LYS93F, THR90F
• F-S: ALA94F, ARG103S, ARG132F, ASN92F, GLN105S, GLN109S, GLU107S, GLY110S, GLY111S, ILE143S, LYS93F, LYS95F, PRO174S, PRO91F, THR90F, VAL108S
• G-N: ALA100N, ALA67N, ALA69N, ALA96N, ALA99N, ARG101N, ARG59N, ARG63G, ARG64N, ARG67G, ARG70N, ASN66N, ASN73G, ASP56N, ASP69G, ASP97N, GLN63N, GLY64G, GLY68N, HIS66G, ILE33G, ILE62N, ILE65N, LEU60N, LEU71N, LYS30G, LYS65G, PHE57N, PHE70G, PRO103N, PRO34G, PRO68G, PRO72G, THR31G, THR71G, TRP61N, TYR32G, VAL94N
• G-O: ARG13O, ASP18O, ILE20O, ILE5O, LYS30G, VAL19O
• G-4: ASP96G, GLY92G, HIS204, LYS93G
• H-M: ALA115H, ALA11H, ALA130H, ALA49M, ALA56M, ALA80H, ALA84H, ALA84M, ALA95H, ARG108M, ARG109H, ARG116H, ARG119H, ARG122H, ARG34M, ARG40M, ARG44M, ARG46M, ARG69M, ARG76H, ARG79M, ARG83H, ARG90H, ARG93H, ASN58M, ASN94H, ASP120H, ASP36M, ASP85H, ASP92H, ASP9H, GLN48M, GLU109M, GLU117H, GLU132H, GLU41M, GLU51M, GLU75M, GLU78M, GLY112H, GLY42M, GLY74M, GLY76M, GLY86H, ILE55M, ILE71M, ILE81H, ILE89H, LEU107M, LEU134H, LEU87M, LYS38M, LYS70M, LYS82H, MET124H, PHE111H, PHE50M, PHE66M, PHE73M, PHE81M, PHE91H, PRO113H, PRO131H, PRO82M, PRO86M, SER65M, SER72M, SER78H, SER85M, SER87H, THR37M, THR45M, THR67M, THR88H, TYR105M, VAL114H, VAL127H, VAL133H, VAL39M, VAL68M, VAL75H, VAL77M, VAL80M, VAL88M
• I-N: ALA30I, ARG13N, ARG32I, PHE36N
• I-O: ARG32I, ARG81O, ARG82O, ARG83O, GLN79O, GLY31I, GLY33I, HIS34I, LYS35I, LYS73O, LYS75O, THR84O, TYR74O, TYR80O, VAL78O
• I-3: ALA103, ALA243, ALA513, ALA533, ALA563, ALA58I, ARG123, ARG133, ARG303, ARG53I, ARG55I, ARG573, ARG59I, ARG63I, ASN66I, GLN323, GLU50I, GLU543, GLY283, GLY473, GLY51I, GLY52I, GLY64I, HIS313, HIS73, ILE143, ILE57I, LEU56I, LEU60I, LYS113, LYS153, LYS263, LYS293, LYS443, LYS463, LYS523, LYS593, LYS62I, LYS83, MET233, MET583, MET93, PHE253, PHE49I, PHE65I, PRO61I, SER273, SER54I, THR63, TRP553, VAL223, VAL493
• J-S: ALA108J, ALA141J, ALA22J, ALA29J, ALA37J, ALA68S, ALA77S, ARG102J, ARG135J, ARG175S, ARG41S, ARG44S, ARG60J, ARG61J, ARG74S, ARG76S, ASN119S, ASP114S, ASP139J, ASP21J, ASP26J, ASP32J, ASP40S, ASP72S, GLN121S, GLN45S, GLN70S, GLU107S, GLU136J, GLU140J, GLU39J, GLY101J, GLY109J, GLY110S, GLY111S, GLY20J, GLY24J, GLY25J, GLY31J, GLY62J, GLY63J, HIS118S, HIS99S, ILE115S, ILE36J, ILE65J, LEU112S, LEU120S, LEU172S, LEU35J, LYS116J, LYS131J, LYS134J, LYS23J, LYS64J, LYS67S, LYS73S, LYS75S, LYS99J, MET132J, MET38J, MET71S, PHE30J, PHE39S, PHE43S, PHE59J, PRO100J, PRO173S, PRO174S, PRO40J, PRO78S, PRO97S, SER47S, SER56J, SER95S, THR100S, THR130J, THR19J, THR48S, TYR138J, TYR27J, TYR33J, TYR66J, VAL110J, VAL113S, VAL116S, VAL117S, VAL133J, VAL137J, VAL28J, VAL66S, VAL69S, VAL98S
• J-T: ARG14T, ASN12T, GLY13T, GLY87J, LYS86J, PHE14J
• J-4: ARG120J, HIS124J, LYS84, LYS94, SER64
• K-M: ARG9M, LYS5K
• K-P: ALA64P, ARG103K, ARG104K, ARG58P, ARG62P, ASP106K, GLU66P, GLY101K, GLY107K, ILE60P, LYS37P, MET33P, PHE59P, PRO61P, PRO67P, SER63P, THR102K, THR109K, VAL100K, VAL108K
• K-Z: ALA111K, ARG33K, ARG55Z, ARG96K, ARG99K, ASP53Z, CYS46Z, GLN35K, GLN56Z, GLU114K, GLY101K, GLY50Z, GLY54Z, HIS43Z, HIS44Z, ILE45Z, ILE97K, LEU112K, LEU38K, LEU41Z, LEU58Z, LEU98K, LYS40Z, MET110K, PRO28Z, PRO47Z, SER42Z, THR102K, THR109K, TYR51Z, TYR52Z, VAL100K, VAL57Z
• L-T: ALA22L, ALA23L, GLN49T, GLY48T, GLY50T, LEU62T, SER46L, THR20L, THR21L, VAL51T
• N-O: ALA105N, ALA108N, ALA112N, ALA35N, ALA37O, ALA42N, ALA43N, ALA51O, ALA86N, ARG101N, ARG13N, ARG13O, ARG20N, ARG21O, ARG48N, ARG50N, ARG51N, ARG72O, ARG81O, ARG82O, ARG83O, ARG92N, ASN115N, ASN41N, ASN87N, ASN91N, ASP111N, ASP50O, ASP89N, ASP97N, GLN11O, GLN37N, GLN6O, GLN79O, GLU102N, GLU104N, GLU43O, GLU46N, GLU49O, GLY48O, GLY77O, GLY85O, GLY8O, GLY9O, HIS86O, ILE5O, ILE69O, ILE71O, ILE88N, ILE98N, LEU109N, LEU38O, LEU39N, LEU40N, LEU83N, LEU90N, LEU95N, LYS107N, LYS10O, LYS16N, LYS19N, LYS53N, LYS54N, LYS73O, LYS75O, LYS93N, PHE106N, PHE24N, PHE36N, PHE39O, PHE47O, PHE79N, PRO103N, SER113N, SER76O, THR38N, THR44N, THR45O, THR7O, THR84O, TRP61N, TYR12O, TYR32N, TYR45N, TYR47N, TYR70O, TYR74O, TYR80O, VAL110N, VAL17N, VAL40O, VAL46O, VAL94N
• N-Z: GLN31N, GLY26N, LYS10Z, LYS13Z, LYS15Z, LYS30N, MET18Z, SER12Z, SER14Z, SER27N, TRP25N
• P-Z: ALA24Z, ALA27Z, ALA53P, ALA64P, ARG111P, ARG16Z, ARG19Z, ARG20Z, ARG36P, ARG39P, ARG58P, ARG62P, ASN29Z, ASN48Z, ASP17Z, ASP43P, ASP52P, ASP55P, CYS33Z, CYS46Z, GLN51P, GLU32Z, GLU54P, GLY38Z, HIS22Z, HIS23Z, HIS37Z, HIS44Z, ILE45P, ILE45Z, ILE60P, LEU25Z, LEU30Z, LEU40P, LEU41Z, LEU56P, LEU57P, LYS37P, LYS39Z, LYS3Z, LYS40Z, LYS48P, PHE59P, PRO28Z, PRO47Z, PRO61P, SER49P, THR26Z, THR31Z, VAL38P, VAL41P, VAL42P, VAL44P
• Q-V: ALA15V, ALA20V, ALA32V, ALA33V, ALA34V, ALA45Q, ALA9Q, ARG21V, ARG29V, ASP19V, ASP5Q, GLN31V, GLN44Q, GLN8Q, GLN94Q, GLU24V, GLU27V, GLU89Q, GLY35V, HIS3Q, ILE12Q, ILE18V, ILE42Q, ILE6Q, ILE88Q, LEU25V, LEU7Q, LEU91Q, LYS16V, LYS22V, LYS23V, MET26V, PHE27Q, PHE30V, PHE46Q, PRO10Q, SER2Q, SER30Q, TRP28Q, TYR4Q, VAL11Q, VAL29Q
• T-3: ARG55T, GLY383, SER373
• 1-3: ALA21, ARG423, ASN333, ASP41, GLY353, ILE413, LYS111, LYS261, LYS293, LYS31, LYS363, SER373, THR231, THR241, THR251, THR343, TYR211, TYR221, VAL431