4ADS

crystal structure of plasmodial plp synthase complex

• Total interactions analyzed: 66
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 111
  • Norm. En. per Res.: -4.2858
• Hub Node: A(3)

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
A-B	-51.3065	-72.4931	-288.209	-412.0087	108	15	12	12693	6	27	24
A-F	-53.9389	-83.7927	-337.995	-475.7266	111	22	12	13706	6	29	25
A-L	-19.0434	-9.7884	-174.964	-203.7958	139	37	0	13486	0	30	35
B-C	-59.4664	-78.1617	-309.118	-446.7461	108	17	12	13268	6	28	24
B-I	-9.4268	-13.634	-235.487	-258.5478	149	46	3	15250	1	27	34
C-D	-52.5398	-76.8322	-310.368	-439.74	107	15	12	13007	6	28	24
C-J	-21.1906	-10.8126	-264.308	-296.3112	141	47	1	14371	0	31	36
D-E	-54.5982	-84.9941	-290.502	-430.0943	111	25	12	13499	6	28	25
D-G	-37.3258	-3.3569	-270.881	-311.5636	141	32	1	14419	1	30	34
E-F	-45.1476	-69.9421	-291.776	-406.8658	107	15	11	12482	5	26	24
E-H	-33.6506	-16.5829	-23.5437	-73.7772	151	87	3	16033	1	27	34
F-K	-29.0992	-15.8054	-106.358	-151.2626	148	56	2	15370	1	31	36

Interface residues

• A-B: ALA113B, ALA163A, ALA219A, ALA222A, ALA224A, ALA225A, ALA257A, ALA277A, ALA283A, ALA284A, ALA62B, ALA93B, ARG168A, ARG56B, ARG63B, ARG74B, ARG86B, ASN117B, ASN120B, ASN159A, ASN172A, ASN262A, ASN263A, ASN269A, ASN281A, ASN50B, ASN57B, ASP114B, ASP223A, ASP59B, ASP66B, CYS227A, GLN229A, GLN94B, GLU115B, GLU162A, GLU49B, GLU54B, GLU71B, GLU92B, GLU97B, GLU98B, GLY156A, GLY158A, GLY217A, GLY231A, GLY240A, GLY273A, GLY275A, GLY280A, GLY60B, GLY88B, HIS118B, HIS166A, HIS279A, HIS89B, ILE119B, ILE160A, ILE161A, ILE164A, ILE218A, ILE266A, ILE51B, ILE70B, ILE87B, ILE95B, LEU110B, LEU230A, LEU267A, LEU268A, LEU272A, LEU274A, LEU55B, LEU68B, LEU96B, LEU99B, LYS100B, LYS165A, LYS249A, LYS265A, LYS276A, LYS69B, MET112B, MET226A, MET228A, MET250A, MET278A, PHE124B, PHE261A, PHE90B, PRO221A, PRO264A, PRO52B, PRO67B, SER244A, SER271A, SER64B, THR111B, THR157A, THR169A, THR220A, THR282A, THR58B, TYR116B, VAL270A, VAL61B, VAL65B, VAL91B
• A-F: ALA113A, ALA163F, ALA219F, ALA222F, ALA224F, ALA225F, ALA257F, ALA277F, ALA283F, ALA284F, ALA62A, ALA93A, ARG168F, ARG56A, ARG63A, ARG74A, ARG86A, ASN117A, ASN120A, ASN159F, ASN172F, ASN262F, ASN263F, ASN269F, ASN281F, ASN50A, ASN57A, ASP114A, ASP223F, ASP59A, ASP66A, CYS227F, GLN229F, GLN94A, GLU115A, GLU154F, GLU162F, GLU49A, GLU54A, GLU71A, GLU72A, GLU92A, GLU97A, GLU98A, GLY156F, GLY158F, GLY217F, GLY231F, GLY240F, GLY273F, GLY275F, GLY280F, GLY60A, GLY88A, HIS118A, HIS166F, HIS279F, HIS89A, ILE119A, ILE160F, ILE161F, ILE164F, ILE218F, ILE266F, ILE51A, ILE70A, ILE87A, ILE95A, LEU110A, LEU230F, LEU267F, LEU268F, LEU272F, LEU274F, LEU55A, LEU68A, LEU96A, LEU99A, LYS100A, LYS165F, LYS249F, LYS265F, LYS276F, LYS69A, MET112A, MET226F, MET228F, MET250F, MET278F, PHE124A, PHE261F, PHE90A, PRO221F, PRO264F, PRO52A, PRO67A, SER239F, SER244F, SER271F, SER64A, THR111A, THR157F, THR169F, THR220F, THR282F, THR58A, TYR116A, VAL270F, VAL61A, VAL65A, VAL91A
• A-L: ALA151L, ALA155L, ALA251A, ALA257A, ALA37A, ALA40A, ALA42A, ALA62L, ALA88L, ARG121L, ARG154L, ARG207A, ARG36L, ARG58L, ARG59L, ARG74A, ASN105L, ASN122L, ASN128L, ASN196L, ASN260A, ASN262A, ASN263A, ASN269A, ASN37L, ASN65L, ASN80A, ASP102A, ASP129L, ASP14L, ASP233A, ASP3A, ASP8A, CYS152L, CYS17A, CYS60L, CYS61L, CYS76A, CYS87L, GLN127L, GLN12L, GLN248A, GLN34L, GLU16L, GLU18A, GLU198L, GLU38A, GLU53L, GLU64L, GLU97A, GLU98A, GLY125L, GLY13L, GLY15A, GLY22A, GLY23A, GLY41A, GLY44A, GLY51L, GLY52L, HIS14A, HIS18L, HIS39L, ILE100L, ILE132L, ILE153L, ILE266A, ILE43A, ILE77A, ILE79A, LEU102L, LEU11A, LEU11L, LEU12A, LEU199L, LEU200L, LEU20A, LEU267A, LEU268A, LEU272A, LEU68L, LEU96A, LEU99A, LYS100A, LYS101L, LYS125A, LYS13A, LYS21A, LYS249A, LYS265A, LYS35A, LYS39A, LYS75A, MET103A, MET19A, MET228A, MET256A, PHE106L, PHE124A, PHE131L, PHE15L, PHE195L, PHE213A, PHE261A, PRO127A, PRO156L, PRO17L, PRO197L, PRO201L, PRO50L, SER104L, SER10L, SER126L, SER130L, SER252A, SER253A, SER259A, SER271A, SER54L, SER78A, SER9A, THR126A, THR55L, THR56L, THR86L, TRP16A, TYR103L, TYR63L, VAL101A, VAL194L, VAL211A, VAL24A, VAL255A, VAL258A, VAL270A, VAL31A, VAL38L, VAL57L, VAL81A
• B-C: ALA113C, ALA163B, ALA219B, ALA222B, ALA224B, ALA225B, ALA257B, ALA277B, ALA283B, ALA284B, ALA62C, ALA93C, ARG168B, ARG56C, ARG63C, ARG74C, ARG86C, ASN117C, ASN120C, ASN159B, ASN172B, ASN262B, ASN263B, ASN269B, ASN281B, ASN50C, ASN57C, ASP114C, ASP223B, ASP59C, ASP66C, CYS227B, GLN229B, GLN94C, GLU115C, GLU162B, GLU49C, GLU54C, GLU71C, GLU72C, GLU92C, GLU97C, GLU98C, GLY158B, GLY217B, GLY231B, GLY240B, GLY273B, GLY275B, GLY280B, GLY60C, GLY88C, HIS118C, HIS166B, HIS279B, HIS89C, ILE119C, ILE160B, ILE161B, ILE164B, ILE218B, ILE266B, ILE51C, ILE70C, ILE87C, ILE95C, LEU110C, LEU230B, LEU267B, LEU268B, LEU272B, LEU274B, LEU55C, LEU68C, LEU96C, LEU99C, LYS100C, LYS165B, LYS249B, LYS265B, LYS276B, LYS69C, MET112C, MET226B, MET228B, MET250B, MET278B, PHE124C, PHE261B, PHE90C, PRO221B, PRO264B, PRO52C, PRO67C, SER244B, SER271B, SER64C, THR111C, THR157B, THR169B, THR220B, THR282B, THR58C, TYR116C, VAL270B, VAL61C, VAL65C, VAL91C
• B-I: ALA151I, ALA155I, ALA251B, ALA257B, ALA34B, ALA37B, ALA40B, ALA42B, ALA62I, ALA88I, ARG121I, ARG154I, ARG207B, ARG36I, ARG58I, ARG59I, ARG74B, ASN105I, ASN122I, ASN128I, ASN196I, ASN260B, ASN262B, ASN263B, ASN269B, ASN37I, ASN65I, ASN80B, ASN99I, ASP102B, ASP129I, ASP14I, ASP233B, ASP3B, ASP66I, ASP8B, CYS152I, CYS17B, CYS60I, CYS61I, CYS76B, CYS87I, GLN127I, GLN12I, GLN248B, GLN34I, GLU16I, GLU18B, GLU198I, GLU32B, GLU38B, GLU53I, GLU64I, GLU97B, GLU98B, GLY125I, GLY13I, GLY15B, GLY22B, GLY234B, GLY23B, GLY41B, GLY44B, GLY51I, GLY52I, HIS14B, HIS18I, HIS39I, ILE100I, ILE10B, ILE132I, ILE153I, ILE25B, ILE266B, ILE43B, ILE73B, ILE77B, ILE79B, LEU102I, LEU11B, LEU11I, LEU12B, LEU199I, LEU200I, LEU20B, LEU267B, LEU268B, LEU272B, LEU68I, LEU96B, LEU99B, LYS100B, LYS101I, LYS125B, LYS13B, LYS21B, LYS249B, LYS265B, LYS35B, LYS39B, LYS75B, MET103B, MET19B, MET228B, MET256B, PHE106I, PHE110I, PHE124B, PHE131I, PHE15I, PHE195I, PHE213B, PHE261B, PRO127B, PRO156I, PRO17I, PRO201I, PRO264B, PRO50I, SER104I, SER10I, SER126I, SER130I, SER252B, SER253B, SER259B, SER271B, SER54I, SER78B, SER9B, THR126B, THR55I, THR56I, THR67I, THR86I, TRP16B, TYR103I, TYR63I, VAL101B, VAL194I, VAL211B, VAL24B, VAL255B, VAL258B, VAL270B, VAL31B, VAL38I, VAL57I, VAL81B
• C-D: ALA113D, ALA163C, ALA219C, ALA222C, ALA224C, ALA225C, ALA257C, ALA277C, ALA283C, ALA284C, ALA62D, ALA93D, ARG168C, ARG56D, ARG63D, ARG74D, ARG86D, ASN117D, ASN120D, ASN159C, ASN172C, ASN262C, ASN263C, ASN269C, ASN281C, ASN50D, ASN57D, ASP114D, ASP223C, ASP59D, ASP66D, CYS227C, GLN229C, GLN94D, GLU115D, GLU162C, GLU49D, GLU54D, GLU71D, GLU92D, GLU97D, GLU98D, GLY158C, GLY217C, GLY231C, GLY240C, GLY273C, GLY275C, GLY280C, GLY60D, GLY88D, HIS118D, HIS166C, HIS279C, HIS89D, ILE119D, ILE160C, ILE161C, ILE164C, ILE218C, ILE266C, ILE51D, ILE70D, ILE87D, ILE95D, LEU110D, LEU230C, LEU267C, LEU268C, LEU272C, LEU274C, LEU55D, LEU68D, LEU96D, LEU99D, LYS100D, LYS165C, LYS249C, LYS265C, LYS276C, LYS69D, MET112D, MET226C, MET228C, MET250C, MET278C, PHE124D, PHE261C, PHE90D, PRO221C, PRO264C, PRO52D, PRO67D, SER244C, SER271C, SER64D, THR111D, THR157C, THR169C, THR220C, THR282C, THR58D, TYR116D, VAL270C, VAL61D, VAL65D, VAL91D
• C-J: ALA150J, ALA151J, ALA155J, ALA251C, ALA257C, ALA37C, ALA40C, ALA42C, ALA62J, ALA88J, ARG121J, ARG154J, ARG207C, ARG36J, ARG58J, ARG59J, ARG74C, ASN105J, ASN122J, ASN128J, ASN196J, ASN260C, ASN262C, ASN263C, ASN269C, ASN37J, ASN65J, ASN80C, ASP102C, ASP129J, ASP14J, ASP233C, ASP3C, ASP66J, ASP8C, CYS152J, CYS17C, CYS60J, CYS61J, CYS76C, CYS87J, GLN127J, GLN12J, GLN248C, GLN34J, GLU16J, GLU18C, GLU198J, GLU38C, GLU53J, GLU64J, GLU97C, GLU98C, GLY125J, GLY13J, GLY15C, GLY22C, GLY234C, GLY23C, GLY41C, GLY44C, GLY51J, GLY52J, HIS14C, HIS18J, ILE100J, ILE132J, ILE153J, ILE266C, ILE43C, ILE77C, ILE79C, LEU102J, LEU11C, LEU11J, LEU12C, LEU199J, LEU200J, LEU20C, LEU267C, LEU268C, LEU272C, LEU68J, LEU96C, LEU99C, LYS100C, LYS101J, LYS125C, LYS13C, LYS21C, LYS249C, LYS265C, LYS35C, LYS39C, LYS75C, MET103C, MET19C, MET228C, MET256C, PHE106J, PHE124C, PHE131J, PHE15J, PHE195J, PHE213C, PHE261C, PRO127C, PRO156J, PRO17J, PRO197J, PRO201J, PRO50J, SER104J, SER10J, SER126J, SER130J, SER252C, SER253C, SER259C, SER271C, SER54J, SER78C, SER9C, THR126C, THR55J, THR56J, THR86J, TRP16C, TYR103J, TYR63J, VAL101C, VAL194J, VAL211C, VAL24C, VAL255C, VAL258C, VAL270C, VAL31C, VAL38J, VAL57J, VAL81C
• D-E: ALA113E, ALA163D, ALA219D, ALA222D, ALA224D, ALA225D, ALA257D, ALA277D, ALA283D, ALA284D, ALA62E, ALA93E, ARG168D, ARG56E, ARG63E, ARG74E, ARG86E, ASN117E, ASN120E, ASN159D, ASN172D, ASN262D, ASN263D, ASN269D, ASN281D, ASN50E, ASN57E, ASP114E, ASP223D, ASP59E, ASP66E, CYS227D, GLN229D, GLN94E, GLU115E, GLU154D, GLU162D, GLU49E, GLU54E, GLU71E, GLU72E, GLU92E, GLU97E, GLU98E, GLY156D, GLY158D, GLY217D, GLY231D, GLY240D, GLY273D, GLY275D, GLY280D, GLY60E, GLY88E, HIS118E, HIS166D, HIS279D, HIS89E, ILE119E, ILE160D, ILE161D, ILE164D, ILE218D, ILE266D, ILE51E, ILE70E, ILE87E, ILE95E, LEU110E, LEU230D, LEU267D, LEU268D, LEU272D, LEU274D, LEU55E, LEU68E, LEU96E, LEU99E, LYS100E, LYS165D, LYS249D, LYS265D, LYS276D, LYS69E, MET112E, MET226D, MET228D, MET250D, MET278D, PHE124E, PHE261D, PHE90E, PRO221D, PRO264D, PRO52E, PRO67E, SER239D, SER244D, SER271D, SER64E, THR111E, THR157D, THR169D, THR220D, THR282D, THR58E, TYR116E, VAL270D, VAL61E, VAL65E, VAL91E
• D-G: ALA150G, ALA151G, ALA155G, ALA251D, ALA257D, ALA37D, ALA40D, ALA42D, ALA62G, ALA88G, ARG121G, ARG154G, ARG207D, ARG36G, ARG58G, ARG59G, ARG74D, ASN105G, ASN122G, ASN128G, ASN196G, ASN260D, ASN262D, ASN263D, ASN269D, ASN37G, ASN65G, ASN80D, ASP102D, ASP129G, ASP14G, ASP233D, ASP3D, ASP8D, CYS152G, CYS17D, CYS60G, CYS61G, CYS76D, CYS87G, GLN127G, GLN12G, GLN248D, GLN34G, GLU16G, GLU18D, GLU198G, GLU38D, GLU53G, GLU64G, GLU97D, GLU98D, GLY125G, GLY13G, GLY15D, GLY22D, GLY23D, GLY41D, GLY44D, GLY51G, GLY52G, HIS14D, HIS18G, ILE100G, ILE10D, ILE132G, ILE153G, ILE266D, ILE43D, ILE77D, ILE79D, LEU102G, LEU104D, LEU11D, LEU11G, LEU12D, LEU199G, LEU200G, LEU20D, LEU267D, LEU268D, LEU272D, LEU68G, LEU82D, LEU96D, LEU99D, LYS100D, LYS101G, LYS125D, LYS13D, LYS21D, LYS249D, LYS265D, LYS35D, LYS39D, LYS75D, MET103D, MET19D, MET228D, MET256D, PHE106G, PHE124D, PHE131G, PHE15G, PHE195G, PHE213D, PHE261D, PRO127D, PRO156G, PRO17G, PRO197G, PRO201G, PRO50G, SER104G, SER10G, SER126G, SER130G, SER252D, SER253D, SER259D, SER271D, SER54G, SER78D, SER9D, THR126D, THR55G, THR56G, THR86G, TRP16D, TYR103G, TYR63G, VAL101D, VAL194G, VAL211D, VAL24D, VAL255D, VAL258D, VAL270D, VAL31D, VAL57G, VAL81D
• E-F: ALA113F, ALA163E, ALA219E, ALA222E, ALA224E, ALA225E, ALA257E, ALA277E, ALA283E, ALA62F, ALA93F, ARG168E, ARG56F, ARG63F, ARG74F, ARG86F, ASN117F, ASN120F, ASN159E, ASN172E, ASN262E, ASN263E, ASN269E, ASN281E, ASN50F, ASN57F, ASP114F, ASP223E, ASP59F, ASP66F, CYS227E, GLN229E, GLN94F, GLU115F, GLU162E, GLU49F, GLU54F, GLU71F, GLU92F, GLU97F, GLU98F, GLY158E, GLY217E, GLY231E, GLY240E, GLY273E, GLY275E, GLY280E, GLY60F, GLY88F, HIS118F, HIS166E, HIS279E, HIS89F, ILE119F, ILE160E, ILE161E, ILE164E, ILE167E, ILE218E, ILE266E, ILE51F, ILE70F, ILE87F, ILE95F, LEU110F, LEU230E, LEU267E, LEU268E, LEU272E, LEU274E, LEU55F, LEU68F, LEU96F, LEU99F, LYS100F, LYS165E, LYS249E, LYS265E, LYS276E, LYS69F, MET112F, MET226E, MET228E, MET250E, MET278E, PHE124F, PHE261E, PHE90F, PRO221E, PRO264E, PRO52F, PRO67F, SER244E, SER271E, SER64F, THR111F, THR157E, THR169E, THR220E, THR282E, THR58F, TYR116F, VAL270E, VAL61F, VAL65F, VAL91F
• E-H: ALA151H, ALA155H, ALA251E, ALA257E, ALA34E, ALA37E, ALA40E, ALA42E, ALA62H, ALA88H, ARG121H, ARG154H, ARG207E, ARG36H, ARG58H, ARG59H, ARG74E, ASN105H, ASN122H, ASN128H, ASN196H, ASN260E, ASN262E, ASN263E, ASN269E, ASN37H, ASN65H, ASN80E, ASN99H, ASP102E, ASP129H, ASP14H, ASP233E, ASP3E, ASP66H, ASP8E, CYS152H, CYS17E, CYS60H, CYS61H, CYS76E, CYS87H, GLN127H, GLN12H, GLN248E, GLN34H, GLU16H, GLU18E, GLU198H, GLU32E, GLU38E, GLU53H, GLU64H, GLU72E, GLU97E, GLU98E, GLU98H, GLY125H, GLY13H, GLY15E, GLY22E, GLY234E, GLY23E, GLY41E, GLY44E, GLY51H, GLY52H, HIS14E, HIS39H, ILE100H, ILE132H, ILE153H, ILE254E, ILE25E, ILE266E, ILE36E, ILE43E, ILE73E, ILE77E, ILE79E, LEU102H, LEU11E, LEU11H, LEU12E, LEU199H, LEU200H, LEU20E, LEU267E, LEU268E, LEU272E, LEU68H, LEU96E, LEU99E, LYS100E, LYS101H, LYS125E, LYS13E, LYS21E, LYS249E, LYS265E, LYS35E, LYS39E, LYS75E, MET103E, MET19E, MET228E, MET256E, MET26E, PHE106H, PHE110H, PHE124E, PHE131H, PHE15H, PHE195H, PHE213E, PHE261E, PRO127E, PRO156H, PRO17H, PRO201H, PRO50H, SER104H, SER10H, SER126H, SER130H, SER252E, SER253E, SER259E, SER271E, SER54H, SER78E, SER9E, THR126E, THR55H, THR56H, THR67H, THR86H, TRP16E, TYR103H, TYR63H, VAL101E, VAL194H, VAL211E, VAL24E, VAL255E, VAL258E, VAL270E, VAL31E, VAL38H, VAL57H, VAL81E
• F-K: ALA151K, ALA155K, ALA251F, ALA257F, ALA37F, ALA40F, ALA42F, ALA62K, ALA88K, ARG121K, ARG154K, ARG207F, ARG36K, ARG58K, ARG59K, ARG74F, ASN105K, ASN122K, ASN128K, ASN196K, ASN260F, ASN262F, ASN263F, ASN269F, ASN37K, ASN65K, ASN80F, ASP102F, ASP129K, ASP14K, ASP233F, ASP3F, ASP66K, ASP8F, CYS152K, CYS17F, CYS60K, CYS61K, CYS76F, CYS87K, GLN127K, GLN12K, GLN248F, GLN34K, GLU16K, GLU18F, GLU198K, GLU38F, GLU53K, GLU64K, GLU97F, GLU98F, GLY125K, GLY13K, GLY15F, GLY22F, GLY234F, GLY23F, GLY41F, GLY44F, GLY51K, GLY52K, HIS14F, HIS18K, HIS39K, ILE100K, ILE10F, ILE132K, ILE153K, ILE25F, ILE266F, ILE43F, ILE73F, ILE77F, ILE79F, LEU102K, LEU11F, LEU11K, LEU12F, LEU199K, LEU200K, LEU20F, LEU267F, LEU268F, LEU272F, LEU68K, LEU96F, LEU99F, LYS100F, LYS101K, LYS125F, LYS13F, LYS21F, LYS249F, LYS265F, LYS35F, LYS39F, LYS75F, MET103F, MET19F, MET228F, MET232F, MET256F, PHE106K, PHE110K, PHE124F, PHE131K, PHE15K, PHE195K, PHE213F, PHE261F, PRO127F, PRO156K, PRO17K, PRO197K, PRO201K, PRO264F, PRO50K, SER104K, SER10K, SER126K, SER130K, SER252F, SER253F, SER259F, SER271F, SER54K, SER78F, SER9F, THR126F, THR55K, THR56K, THR67K, THR86K, TRP16F, TYR103K, TYR63K, VAL101F, VAL194K, VAL211F, VAL24F, VAL255F, VAL258F, VAL270F, VAL31F, VAL38K, VAL57K, VAL81F