3GK0

crystal structure of pyridoxal phosphate biosynthetic protein from burkholderia pseudomallei

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-H
  • Int. Res.: 85
  • Norm. En. per Res.: -2.8482
• Hub Node: A(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
A-D	-6.3233	-39.8865	-193.39	-239.5997	86	9	20	8355	2	12	17
A-E	-15.5543	14.3114	-59.8294	-61.0724	40	4	0	2451	4	27	27
A-F	0.0	4.5751	-0.299	4.2762	14	0	0	96	0	6	7
A-G	-20.8506	22.2101	-265.758	-264.3985	105	5	16	11354	2	14	35
B-C	0.0	4.5188	-0.3159	4.2029	13	0	0	100	0	6	5
B-E	-22.7833	18.716	-267.901	-271.9683	105	5	16	11374	2	14	34
B-G	-15.3213	17.7346	-58.3132	-55.8998	44	3	0	2461	4	26	26
B-H	-5.9346	-40.8669	-195.297	-242.0985	85	13	21	8491	2	12	17
C-E	-10.6659	-47.4209	-118.945	-177.0318	64	13	15	5707	3	11	15
C-H	-23.1828	13.9517	-266.548	-275.7791	105	5	16	11272	4	15	35
D-F	-27.4699	18.8159	-268.767	-277.4211	106	9	16	11161	2	15	37
D-G	0.0	4.3841	-0.2619	4.1222	14	0	0	86	0	6	5
E-G	0.0	0.0	-0.0053	-0.0053	4	0	0	4	0	14	13
E-H	0.0	4.4978	-0.306	4.1918	14	0	0	97	0	6	5
F-G	-7.8397	-41.6093	-121.946	-171.395	63	8	16	5701	3	11	15

Interface residues

• A-D: ALA169D, ALA172D, ALA173D, ALA183D, ALA209A, ALA209D, ALA211A, ALA211D, ALA212A, ALA212D, ALA229A, ALA229D, ALA237A, ALA237D, ALA243A, ALA243D, ALA247A, ALA247D, ALA248A, ALA248D, ALA251A, ALA251D, ALA252A, ALA252D, ARG177D, ARG239A, ARG239D, ARG249A, ARG249D, ASN206D, ASN236A, ASN236D, ASP171D, ASP235A, ASP235D, GLN175D, GLN176D, GLN208A, GLN208D, GLU174D, GLU178D, GLU180D, GLU240A, GLU240D, GLY233A, GLY233D, HIS170D, HIS203D, HIS228A, HIS228D, HIS254A, HIS254D, ILE210D, ILE244A, ILE244D, LEU213D, LEU253A, LEU253D, LEU5A, LYS242A, LYS242D, MET241A, MET241D, MET245A, MET245D, PHE179D, PHE231A, PHE231D, PHE3A, PHE4A, PRO8A, THR205A, THR205D, THR6A, THR7A, TYR166D, TYR204A, TYR204D, VAL207A, VAL207D, VAL232A, VAL232D, VAL246A, VAL246D, VAL250A, VAL250D
• A-E: ALA133E, ALA169A, ALA90E, ARG105A, ARG165A, ARG177A, ARG66E, ARG69E, ARG71E, ARG94E, ASP132E, ASP168A, ASP171A, ASP33E, ASP88E, CYS91E, GLU103A, GLU107A, GLU111A, GLU174A, GLU178A, GLU92E, GLY112A, HIS119A, HIS170A, HIS96E, ILE89E, ILE93E, LEU108A, LEU39E, LEU68E, LYS104A, PRO70E, PRO95E, SER106A, THR109A, THR110A, THR67E, VAL35E, VAL72E
• A-F: ALA44F, ARG239A, ARG239F, ARG36A, ARG36F, ASN236A, ASN236F, ASP235A, ASP235F, ASP43F, GLY233A, GLY233F, VAL232A, VAL232F
• A-G: ALA167A, ALA167G, ALA21A, ALA21G, ALA224A, ALA224G, ALA227A, ALA227G, ALA229A, ALA229G, ALA237A, ALA237G, ALA26A, ALA26G, ALA30A, ALA30G, ALA37A, ALA37G, ALA38A, ALA38G, ALA40A, ALA40G, ALA41A, ALA41G, ARG165A, ARG165G, ARG24A, ARG24G, ARG27A, ARG27G, ARG36A, ARG36G, ARG58A, ASN206A, ASN206G, ASN236A, ASN236G, ASN25A, ASN25G, ASP168A, ASP168G, ASP18A, ASP18G, ASP235A, ASP235G, ASP33A, ASP33G, GLY164A, GLY164G, GLY201A, GLY201G, GLY222A, GLY222G, GLY233A, GLY233G, GLY28A, GLY28G, HIS162A, HIS162G, HIS19A, HIS19G, HIS200A, HIS200G, HIS203A, HIS203G, HIS223A, HIS223G, HIS228A, HIS228G, HIS59A, HIS59G, ILE225A, ILE225G, LEU202A, LEU202G, LEU23A, LEU23G, LEU39A, LEU39G, PHE231A, PHE231G, PRO32A, PRO32G, PRO34A, PRO34G, THR163A, THR163G, THR22A, THR22G, THR29A, THR29G, TRP234A, TRP234G, TYR31A, TYR31G, VAL20A, VAL20G, VAL226A, VAL226G, VAL230A, VAL230G, VAL232A, VAL232G, VAL35A, VAL35G
• B-C: ALA44C, ARG239B, ARG239C, ARG36B, ARG36C, ASN236B, ASN236C, ASP235B, ASP235C, GLY233B, GLY233C, VAL232B, VAL232C
• B-E: ALA167B, ALA167E, ALA21B, ALA21E, ALA224B, ALA224E, ALA227B, ALA227E, ALA229B, ALA229E, ALA237B, ALA237E, ALA26B, ALA26E, ALA30B, ALA30E, ALA37B, ALA37E, ALA38B, ALA38E, ALA40B, ALA40E, ALA41B, ALA41E, ARG165B, ARG165E, ARG24B, ARG24E, ARG27B, ARG27E, ARG36B, ARG36E, ARG58E, ASN206B, ASN206E, ASN236B, ASN236E, ASN25B, ASN25E, ASP168B, ASP168E, ASP18B, ASP18E, ASP235B, ASP235E, ASP33B, ASP33E, GLY164B, GLY164E, GLY201B, GLY201E, GLY222B, GLY222E, GLY233B, GLY233E, GLY28B, GLY28E, HIS162B, HIS162E, HIS19B, HIS19E, HIS200B, HIS200E, HIS203B, HIS203E, HIS223B, HIS223E, HIS228B, HIS228E, HIS59B, HIS59E, ILE225B, ILE225E, LEU202B, LEU202E, LEU23B, LEU23E, LEU39B, LEU39E, PHE231B, PHE231E, PRO32B, PRO32E, PRO34B, PRO34E, THR163B, THR163E, THR22B, THR22E, THR29B, THR29E, TRP234B, TRP234E, TYR31B, TYR31E, VAL20B, VAL20E, VAL226B, VAL226E, VAL230B, VAL230E, VAL232B, VAL232E, VAL35B, VAL35E
• B-G: ALA133G, ALA169B, ALA63G, ALA90G, ARG105B, ARG165B, ARG177B, ARG36G, ARG54B, ARG66G, ARG69G, ARG71G, ARG94G, ASP132G, ASP168B, ASP171B, ASP33G, ASP88G, CYS91G, GLU103B, GLU107B, GLU111B, GLU174B, GLU178B, GLU92G, GLY112B, HIS119B, HIS170B, HIS96G, ILE89G, ILE93G, LEU108B, LEU39G, LEU68G, LYS104B, PRO70G, PRO95G, SER106B, THR109B, THR110B, THR67G, TYR31G, VAL35G, VAL72G
• B-H: ALA169H, ALA172H, ALA173H, ALA183H, ALA209B, ALA209H, ALA211B, ALA211H, ALA212B, ALA212H, ALA229B, ALA229H, ALA237B, ALA237H, ALA243B, ALA243H, ALA247B, ALA247H, ALA248B, ALA248H, ALA251B, ALA251H, ALA252B, ALA252H, ARG177H, ARG239B, ARG239H, ARG249B, ARG249H, ASN206H, ASN236B, ASN236H, ASP171H, ASP235B, ASP235H, GLN175H, GLN176H, GLN208B, GLN208H, GLU174H, GLU178H, GLU180H, GLU240B, GLU240H, GLY233B, GLY233H, HIS203H, HIS228B, HIS228H, HIS254B, HIS254H, ILE210H, ILE244B, ILE244H, LEU213H, LEU253B, LEU253H, LEU5B, LYS242B, LYS242H, MET241B, MET241H, MET245B, MET245H, PHE179H, PHE231B, PHE231H, PHE3B, PHE4B, PRO8B, THR205B, THR205H, THR6B, THR7B, TYR166H, TYR204B, TYR204H, VAL207B, VAL207H, VAL232B, VAL232H, VAL246B, VAL246H, VAL250B, VAL250H
• C-E: ALA209C, ALA209E, ALA211C, ALA211E, ALA212C, ALA212E, ALA229C, ALA229E, ALA237C, ALA237E, ALA243C, ALA243E, ALA247C, ALA247E, ALA248C, ALA248E, ALA251C, ALA251E, ALA252C, ALA252E, ARG239C, ARG239E, ARG249C, ARG249E, ASN236C, ASN236E, ASP235C, ASP235E, GLN176C, GLN208C, GLN208E, GLU240C, GLU240E, GLY233C, GLY233E, HIS228C, HIS228E, HIS254E, ILE244C, ILE244E, LEU253C, LEU253E, LYS242C, LYS242E, MET241C, MET241E, MET245C, MET245E, PHE231C, PHE231E, THR205C, THR205E, TRP234C, TRP234E, TYR204C, TYR204E, VAL207C, VAL207E, VAL232C, VAL232E, VAL246C, VAL246E, VAL250C, VAL250E
• C-H: ALA167C, ALA167H, ALA21C, ALA21H, ALA224C, ALA224H, ALA227C, ALA227H, ALA229C, ALA229H, ALA237C, ALA237H, ALA26C, ALA26H, ALA30C, ALA30H, ALA37C, ALA37H, ALA38C, ALA38H, ALA40C, ALA40H, ALA41C, ALA41H, ARG165H, ARG24C, ARG24H, ARG27C, ARG27H, ARG36C, ARG36H, ARG58C, ARG58H, ASN206C, ASN206H, ASN236C, ASN236H, ASN25C, ASN25H, ASP168C, ASP168H, ASP18C, ASP18H, ASP235C, ASP235H, ASP33C, ASP33H, GLY164C, GLY164H, GLY201C, GLY201H, GLY222C, GLY222H, GLY233C, GLY233H, GLY28C, GLY28H, HIS162C, HIS162H, HIS19C, HIS19H, HIS200C, HIS200H, HIS203C, HIS203H, HIS223C, HIS223H, HIS228C, HIS228H, HIS59C, HIS59H, ILE225C, ILE225H, LEU202C, LEU202H, LEU23C, LEU23H, LEU39C, LEU39H, PHE231C, PHE231H, PRO32C, PRO32H, PRO34C, PRO34H, THR163C, THR163H, THR22C, THR22H, THR29C, THR29H, TRP234C, TRP234H, TYR31C, TYR31H, VAL20C, VAL20H, VAL226C, VAL226H, VAL230C, VAL230H, VAL232C, VAL232H, VAL35C, VAL35H
• D-F: ALA167D, ALA167F, ALA169D, ALA21D, ALA21F, ALA224D, ALA224F, ALA227D, ALA227F, ALA229D, ALA229F, ALA237D, ALA237F, ALA26D, ALA26F, ALA30D, ALA30F, ALA37D, ALA37F, ALA38D, ALA38F, ALA40D, ALA40F, ALA41D, ALA41F, ARG165D, ARG24D, ARG24F, ARG27D, ARG27F, ARG36D, ARG36F, ARG58D, ASN206D, ASN206F, ASN236D, ASN236F, ASN25D, ASN25F, ASP168D, ASP168F, ASP18D, ASP18F, ASP235D, ASP235F, ASP33D, ASP33F, GLY164D, GLY164F, GLY199D, GLY201D, GLY201F, GLY222D, GLY222F, GLY233D, GLY233F, GLY28D, GLY28F, HIS162D, HIS162F, HIS19D, HIS19F, HIS200D, HIS200F, HIS203D, HIS203F, HIS223D, HIS223F, HIS228D, HIS228F, HIS59D, HIS59F, ILE225D, ILE225F, LEU202D, LEU202F, LEU23D, LEU23F, LEU39D, LEU39F, PHE231D, PHE231F, PRO32D, PRO32F, PRO34D, PRO34F, THR163D, THR163F, THR22D, THR22F, THR29D, THR29F, TRP234D, TRP234F, TYR31D, TYR31F, VAL20D, VAL20F, VAL226D, VAL226F, VAL230D, VAL230F, VAL232D, VAL232F, VAL35D, VAL35F
• D-G: ALA44G, ARG239D, ARG239G, ARG36D, ARG36G, ASN236D, ASN236G, ASP235D, ASP235G, ASP43G, GLY233D, GLY233G, VAL232D, VAL232G
• E-G: ALA63E, ALA63G, GLY28E, GLY28G
• E-H: ALA44E, ARG239E, ARG239H, ARG36E, ARG36H, ASN236E, ASN236H, ASP235E, ASP235H, ASP43E, GLY233E, GLY233H, VAL232E, VAL232H
• F-G: ALA209F, ALA209G, ALA211F, ALA211G, ALA212F, ALA212G, ALA229F, ALA229G, ALA237F, ALA237G, ALA243F, ALA243G, ALA247F, ALA247G, ALA248F, ALA248G, ALA251F, ALA251G, ALA252F, ALA252G, ARG239F, ARG239G, ARG249F, ARG249G, ASN236F, ASN236G, ASP235F, ASP235G, GLN176F, GLN208F, GLN208G, GLU240F, GLU240G, GLY233F, GLY233G, HIS228F, HIS228G, HIS254G, ILE244F, ILE244G, LEU253F, LEU253G, LYS242F, LYS242G, MET241F, MET241G, MET245F, MET245G, PHE179F, PHE231F, PHE231G, THR205F, THR205G, TYR204F, TYR204G, VAL207F, VAL207G, VAL232F, VAL232G, VAL246F, VAL246G, VAL250F, VAL250G