3GNQ

crystal structure of glyceraldehyde-3-phosphate dehydrogenase, type i from burkholderia pseudomallei

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 172
  • Norm. En. per Res.: -4.6584
• 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-B	-52.5788	-10.9218	-407.352	-470.8525	122	15	9	16134	0	39	44
A-C	-79.1617	-116.5147	-553.307	-748.9834	175	20	13	23822	14	42	28
A-D	0.0	7.4808	-57.1289	-49.6481	51	1	1	2724	0	15	11
A-E	0.0	29.2369	-8.3499	20.887	16	3	0	530	0	6	9
B-C	0.0	12.9845	-59.1095	-46.125	49	0	0	2598	0	16	11
B-D	-92.112	-121.9957	-557.362	-771.4697	174	23	14	23827	11	41	28
B-E	0.0	0.0	-0.0175	-0.0175	5	0	0	7	0	2	1
B-H	-3.1193	-7.1716	-43.4378	-53.7287	51	2	0	2362	2	28	29
C-D	-39.9803	-7.8547	-388.137	-435.972	123	21	8	15812	0	38	45
D-H	0.0	0.0	-0.4277	-0.4277	13	0	0	136	0	8	5
E-F	-40.8224	-6.0748	-371.449	-418.3463	121	17	8	15460	0	38	46
E-G	-109.0231	-122.2257	-569.996	-801.2448	172	28	14	24181	12	40	30
E-H	0.0	10.0265	-59.1096	-49.0831	46	0	2	2702	0	15	11
F-G	0.0	10.0186	-63.059	-53.0404	49	0	0	2750	0	15	11
F-H	-80.3679	-128.9451	-576.798	-786.111	178	29	13	24566	14	42	28
G-H	-34.6073	-6.4497	-399.562	-440.619	121	19	9	16112	0	40	47

Interface residues

• A-B: ALA182A, ALA182B, ALA200A, ALA200B, ALA203A, ALA203B, ALA40A, ALA40B, ALA44A, ALA44B, ALA52A, ALA52B, ARG11A, ARG11B, ARG14A, ARG14B, ARG18A, ARG18B, ARG198A, ARG198B, ARG199A, ARG199B, ARG201A, ARG201B, ARG235A, ARG235B, ARG80B, ASN15A, ASN15B, ASN185A, ASN185B, ASN240A, ASN240B, ASN316A, ASN316B, ASN43A, ASN43B, ASP186A, ASP186B, ASP191A, ASP191B, ASP196A, ASP196B, ASP36A, ASP36B, ASP39A, ASP39B, ASP50A, ASP50B, GLN187A, GLN187B, GLN48A, GLN48B, GLU195A, GLU195B, GLU317A, GLU317B, GLY10A, GLY10B, GLY38A, GLY38B, GLY54A, GLY54B, HIS194A, HIS194B, HIS205A, HIS205B, HIS45A, HIS45B, HIS53A, HIS53B, ILE12A, ILE12B, ILE208A, ILE208B, ILE239A, ILE239B, ILE285A, ILE285B, LEU189A, LEU189B, LEU197A, LEU197B, LEU37A, LEU37B, LEU46A, LEU46B, LYS41A, LYS41B, LYS55A, LYS55B, PHE56A, PRO237A, PRO237B, SER202A, SER202B, SER206A, SER206B, THR184A, THR184B, THR190A, THR190B, THR204A, THR204B, THR238A, THR238B, THR42A, THR42B, THR51A, THR51B, TYR183A, TYR183B, TYR193A, TYR193B, TYR49A, TYR49B, TYR9A, TYR9B, VAL188A, VAL188B, VAL192A, VAL192B
• A-C: ALA182A, ALA182C, ALA200A, ALA200C, ALA203A, ALA203C, ALA215A, ALA215C, ALA216A, ALA233A, ALA233C, ALA250A, ALA250C, ALA280A, ALA280C, ALA298A, ALA298C, ALA52C, ARG198A, ARG198C, ARG199A, ARG199C, ARG201A, ARG201C, ARG235A, ARG235C, ARG306A, ARG306C, ASN240A, ASN240C, ASN278A, ASN278C, ASN316A, ASN316C, ASP191A, ASP191C, ASP196A, ASP196C, ASP230A, ASP230C, ASP245A, ASP245C, ASP286A, ASP286C, ASP297A, ASP297C, GLN187A, GLN187C, GLN207A, GLN207C, GLU173A, GLU173C, GLU279A, GLU279C, GLY175A, GLY175C, GLY213A, GLY213C, GLY227A, GLY227C, GLY231A, GLY231C, GLY305A, GLY305C, HIS181A, HIS181C, HIS205A, HIS205C, ILE180A, ILE180C, ILE208A, ILE208C, ILE234A, ILE234C, ILE239A, ILE239C, ILE243A, ILE243C, ILE249A, ILE249C, ILE285A, ILE285C, LEU172A, LEU172C, LEU176A, LEU176C, LEU197A, LEU197C, LEU229A, LEU229C, LEU246A, LEU246C, LEU282A, LEU282C, LEU300A, LEU300C, LEU307A, LEU307C, LYS211A, LYS211C, LYS228A, LYS228C, LYS302A, LYS302C, LYS309A, LYS309C, MET177A, MET177C, PHE248A, PHE248C, PHE287A, PHE287C, PRO209A, PRO209C, PRO237A, PRO237C, PRO281A, PRO281C, SER202A, SER202C, SER206A, SER206C, SER242A, SER242C, SER247A, SER247C, SER284A, SER284C, SER304A, SER304C, SER311A, SER311C, SER312A, THR174A, THR174C, THR178A, THR178C, THR179A, THR179C, THR204A, THR204C, THR210A, THR210C, THR212A, THR212C, THR238A, THR238C, THR299A, THR299C, THR301A, THR301C, THR51A, THR51C, TRP313A, TRP313C, TYR183A, TYR183C, TYR232A, TYR232C, TYR314A, TYR314C, VAL236A, VAL236C, VAL241A, VAL241C, VAL244A, VAL244C, VAL283A, VAL283C, VAL303A, VAL303C, VAL308A, VAL308C, VAL310A, VAL310C
• A-D: ALA280A, ALA280D, ALA52A, ALA52D, ASN278A, ASN278D, ASN288A, ASN288D, ASN290A, ASN290D, ASP286A, ASP286D, ASP50A, ASP50D, GLN48A, GLN48D, GLY54A, GLY54D, HIS205A, HIS205D, HIS45A, HIS45D, HIS53A, HIS53D, ILE239A, ILE239D, ILE285A, ILE285D, LEU282A, LEU282D, LYS41A, LYS55A, LYS55D, PHE287A, PHE287D, PRO237A, PRO237D, PRO281A, PRO281D, SER206A, SER284A, SER284D, THR204A, THR204D, THR42A, THR51A, THR51D, TYR49A, TYR49D, VAL283A, VAL283D
• A-E: ALA78A, ARG73E, ARG75E, ARG80A, ASN79A, ASN81A, ASP63E, ASP65E, GLU84A, GLU89E, GLY64E, GLY71E, LEU37A, LEU90E, TYR66E, VAL68E
• B-C: ALA280B, ALA280C, ALA52B, ALA52C, ASN278B, ASN278C, ASN288B, ASN288C, ASN290C, ASP286B, ASP286C, ASP50B, ASP50C, GLN48B, GLN48C, GLY54B, GLY54C, HIS205B, HIS205C, HIS45B, HIS45C, HIS53B, HIS53C, ILE239B, ILE239C, ILE285B, ILE285C, LEU282B, LEU282C, LYS41C, LYS55B, LYS55C, PHE287B, PHE287C, PRO237B, PRO237C, PRO281B, PRO281C, SER206C, SER284B, THR204B, THR204C, THR42C, THR51B, THR51C, TYR49B, TYR49C, VAL283B, VAL283C
• B-D: ALA182B, ALA182D, ALA200B, ALA200D, ALA203B, ALA203D, ALA215B, ALA215D, ALA216B, ALA233B, ALA233D, ALA250B, ALA250D, ALA280B, ALA280D, ALA298B, ALA298D, ARG198B, ARG198D, ARG199B, ARG199D, ARG201B, ARG201D, ARG235B, ARG235D, ARG306B, ARG306D, ASN240B, ASN240D, ASN278B, ASN278D, ASN288B, ASN288D, ASN316B, ASN316D, ASP191B, ASP191D, ASP196B, ASP196D, ASP230B, ASP230D, ASP245B, ASP245D, ASP286B, ASP286D, ASP297B, ASP297D, GLN187B, GLN187D, GLN207B, GLN207D, GLU173B, GLU173D, GLU279B, GLU279D, GLY175B, GLY175D, GLY213B, GLY227B, GLY227D, GLY231B, GLY231D, GLY305B, GLY305D, HIS181B, HIS181D, HIS205B, HIS205D, ILE180B, ILE180D, ILE208B, ILE208D, ILE234B, ILE234D, ILE239B, ILE239D, ILE243B, ILE243D, ILE249B, ILE249D, ILE285B, ILE285D, LEU172B, LEU172D, LEU176B, LEU176D, LEU197B, LEU197D, LEU229B, LEU229D, LEU246B, LEU246D, LEU282B, LEU282D, LEU300B, LEU300D, LEU307B, LEU307D, LYS211B, LYS211D, LYS228B, LYS228D, LYS302B, LYS302D, LYS309B, LYS309D, MET177B, MET177D, PHE248B, PHE248D, PHE287B, PHE287D, PRO209B, PRO209D, PRO237B, PRO237D, PRO281B, PRO281D, SER202B, SER202D, SER206B, SER206D, SER242B, SER242D, SER247B, SER247D, SER284B, SER284D, SER304B, SER304D, SER311B, SER311D, THR174B, THR174D, THR178B, THR178D, THR179B, THR179D, THR204B, THR204D, THR210B, THR210D, THR212B, THR212D, THR238B, THR238D, THR299B, THR299D, THR301B, THR301D, THR51B, THR51D, TRP313B, TRP313D, TYR183B, TYR183D, TYR232B, TYR232D, TYR314B, TYR314D, VAL236B, VAL236D, VAL241B, VAL241D, VAL244B, VAL244D, VAL283B, VAL283D, VAL303B, VAL303D, VAL308B, VAL308D, VAL310B, VAL310D
• B-E: GLU106B, GLU59E, GLY58E, LYS107B, PRO57E
• B-H: ALA131B, ALA216B, ALA217B, ALA270H, ASN226B, ASN23H, ASP128B, ASP130B, ASP140H, ASP230B, ASP28H, GLU145B, GLU224B, GLU22H, GLU265H, GLU268H, GLU30H, GLY136H, GLY213B, GLY219B, GLY227B, GLY24H, GLY269H, GLY273H, HIS139H, HIS146B, HIS27H, ILE149B, ILE274H, LEU220B, LEU229B, LEU271H, LEU29H, LYS105B, LYS127B, LYS143B, LYS228B, LYS25H, LYS26H, LYS272H, PHE20H, PRO223B, PRO291H, THR132B, THR147B, THR1H, TYR135H, VAL129B, VAL141B, VAL148B, VAL218B
• C-D: ALA182C, ALA182D, ALA200C, ALA200D, ALA203C, ALA203D, ALA40D, ALA44C, ALA44D, ALA52C, ALA52D, ALA78C, ARG11C, ARG11D, ARG14C, ARG14D, ARG18C, ARG18D, ARG198C, ARG198D, ARG199C, ARG199D, ARG201C, ARG201D, ARG235C, ARG235D, ARG80C, ASN15C, ASN15D, ASN185C, ASN185D, ASN240C, ASN240D, ASN316C, ASN316D, ASN43C, ASN43D, ASP186C, ASP186D, ASP191C, ASP191D, ASP196C, ASP196D, ASP36C, ASP36D, ASP39C, ASP39D, ASP50C, ASP50D, GLN187C, GLN187D, GLN48C, GLN48D, GLU195C, GLU195D, GLU317C, GLU317D, GLY10C, GLY10D, GLY38C, GLY38D, GLY54C, GLY54D, HIS194C, HIS194D, HIS205C, HIS205D, HIS45C, HIS45D, HIS53C, HIS53D, ILE12C, ILE12D, ILE208C, ILE208D, ILE239C, ILE239D, ILE285C, ILE285D, LEU189C, LEU189D, LEU197C, LEU197D, LEU37C, LEU37D, LEU46C, LEU46D, LYS41C, LYS41D, LYS55C, LYS55D, PHE56C, PRO237C, PRO237D, SER202C, SER202D, SER206C, SER206D, THR184C, THR184D, THR190C, THR190D, THR204C, THR204D, THR238C, THR238D, THR42C, THR42D, THR51C, THR51D, TYR183C, TYR183D, TYR193C, TYR193D, TYR49C, TYR49D, TYR9C, TYR9D, VAL188C, VAL188D, VAL192C, VAL192D, VAL236D
• D-H: ALA256D, ALA257D, ARG252H, GLU258H, GLU265H, GLY305D, ILE262H, LYS169H, LYS302D, SER304D, THR254D, THR255D, VAL303D
• E-F: ALA182E, ALA182F, ALA200E, ALA200F, ALA203E, ALA203F, ALA44E, ALA44F, ALA52E, ALA52F, ALA78F, ARG11E, ARG11F, ARG14E, ARG14F, ARG18E, ARG18F, ARG198E, ARG198F, ARG199E, ARG199F, ARG201E, ARG201F, ARG235E, ARG235F, ARG80F, ASN15E, ASN15F, ASN185E, ASN185F, ASN240E, ASN240F, ASN316E, ASN316F, ASN43E, ASN43F, ASP186E, ASP186F, ASP191E, ASP191F, ASP196E, ASP196F, ASP36E, ASP36F, ASP39E, ASP39F, ASP50E, ASP50F, GLN187E, GLN187F, GLN48E, GLN48F, GLU195E, GLU195F, GLU317E, GLU317F, GLY10E, GLY10F, GLY38E, GLY38F, GLY54E, GLY54F, HIS194E, HIS194F, HIS205E, HIS205F, HIS45E, HIS45F, HIS53E, HIS53F, ILE12E, ILE12F, ILE208E, ILE208F, ILE239E, ILE239F, ILE285E, ILE285F, LEU189E, LEU189F, LEU197E, LEU197F, LEU37E, LEU37F, LEU46E, LEU46F, LYS41E, LYS41F, LYS55E, LYS55F, PRO237E, PRO237F, SER202E, SER202F, SER206E, SER206F, THR184E, THR184F, THR190E, THR190F, THR204E, THR204F, THR238E, THR238F, THR42E, THR42F, THR51E, THR51F, TYR183E, TYR183F, TYR193E, TYR193F, TYR49E, TYR49F, TYR9E, TYR9F, VAL188E, VAL188F, VAL192E, VAL192F, VAL236E
• E-G: ALA182E, ALA182G, ALA200E, ALA200G, ALA203E, ALA203G, ALA215E, ALA215G, ALA233E, ALA233G, ALA250E, ALA250G, ALA280E, ALA280G, ALA298E, ALA298G, ARG198E, ARG198G, ARG199E, ARG199G, ARG201E, ARG201G, ARG235E, ARG235G, ARG306E, ARG306G, ASN240E, ASN240G, ASN278E, ASN278G, ASN316E, ASN316G, ASP191E, ASP191G, ASP196E, ASP196G, ASP230E, ASP230G, ASP245E, ASP245G, ASP286E, ASP286G, ASP297E, ASP297G, GLN187E, GLN187G, GLN207E, GLN207G, GLU173E, GLU173G, GLU279E, GLU279G, GLY175E, GLY175G, GLY227E, GLY227G, GLY231E, GLY231G, GLY305E, GLY305G, HIS181E, HIS181G, HIS205E, HIS205G, ILE180E, ILE180G, ILE208E, ILE208G, ILE234E, ILE234G, ILE239E, ILE239G, ILE243E, ILE243G, ILE249E, ILE249G, ILE285E, ILE285G, LEU172E, LEU172G, LEU176E, LEU176G, LEU197E, LEU197G, LEU229E, LEU229G, LEU246E, LEU246G, LEU282E, LEU282G, LEU300E, LEU300G, LEU307E, LEU307G, LYS211E, LYS211G, LYS228E, LYS228G, LYS302E, LYS302G, LYS309E, LYS309G, MET177E, MET177G, PHE248E, PHE248G, PHE287E, PHE287G, PRO209E, PRO209G, PRO237E, PRO237G, PRO281E, PRO281G, SER202E, SER202G, SER206E, SER206G, SER242E, SER242G, SER247E, SER247G, SER284E, SER284G, SER304E, SER304G, SER311E, SER311G, SER312E, SER312G, THR174E, THR174G, THR178E, THR178G, THR179E, THR179G, THR204E, THR204G, THR210E, THR210G, THR212E, THR212G, THR238E, THR238G, THR299E, THR299G, THR301E, THR301G, THR51E, THR51G, TRP313E, TRP313G, TYR183E, TYR183G, TYR232E, TYR232G, TYR314E, TYR314G, VAL236E, VAL236G, VAL241E, VAL241G, VAL244E, VAL244G, VAL283E, VAL283G, VAL303E, VAL303G, VAL308E, VAL308G, VAL310E, VAL310G
• E-H: ALA280E, ALA280H, ALA52E, ALA52H, ASN278E, ASN278H, ASN288E, ASN288H, ASP286E, ASP286H, ASP50E, ASP50H, GLN48E, GLN48H, GLY54E, GLY54H, HIS205E, HIS205H, HIS45E, HIS45H, HIS53E, ILE239E, ILE239H, ILE285E, ILE285H, LEU282E, LEU282H, LYS41E, LYS41H, LYS55E, LYS55H, PHE287E, PHE287H, PRO237E, PRO237H, PRO281E, PRO281H, SER284E, THR204E, THR204H, THR51E, THR51H, TYR49E, TYR49H, VAL283E, VAL283H
• F-G: ALA280F, ALA280G, ALA52F, ALA52G, ASN278F, ASN278G, ASN288F, ASN288G, ASN290F, ASP286F, ASP286G, ASP50F, ASP50G, GLN48F, GLN48G, GLY54F, GLY54G, HIS205F, HIS205G, HIS45F, HIS45G, HIS53F, HIS53G, ILE239F, ILE239G, ILE285F, ILE285G, LEU282F, LEU282G, LYS41G, LYS55F, LYS55G, PHE287F, PHE287G, PRO237F, PRO237G, PRO281F, PRO281G, SER206F, SER284F, THR204F, THR204G, THR42F, THR51F, THR51G, TYR49F, TYR49G, VAL283F, VAL283G
• F-H: ALA182F, ALA182H, ALA200F, ALA200H, ALA203F, ALA203H, ALA215F, ALA215H, ALA216F, ALA216H, ALA233F, ALA233H, ALA250F, ALA250H, ALA280F, ALA280H, ALA298F, ALA298H, ALA52F, ARG198F, ARG198H, ARG199F, ARG199H, ARG201F, ARG201H, ARG235F, ARG235H, ARG306F, ARG306H, ASN240F, ASN240H, ASN278F, ASN278H, ASN288F, ASN316F, ASN316H, ASP191F, ASP191H, ASP196F, ASP196H, ASP230F, ASP230H, ASP245F, ASP245H, ASP286F, ASP286H, ASP297F, ASP297H, GLN187F, GLN187H, GLN207F, GLN207H, GLU173F, GLU173H, GLU279F, GLU279H, GLY175F, GLY175H, GLY213F, GLY213H, GLY227F, GLY227H, GLY231F, GLY231H, GLY305F, GLY305H, HIS181F, HIS181H, HIS205F, HIS205H, ILE180F, ILE180H, ILE208F, ILE208H, ILE234F, ILE234H, ILE239F, ILE239H, ILE243F, ILE243H, ILE249F, ILE249H, ILE285F, ILE285H, LEU172F, LEU172H, LEU176F, LEU176H, LEU197F, LEU197H, LEU229F, LEU229H, LEU246F, LEU246H, LEU282F, LEU282H, LEU300F, LEU300H, LEU307F, LEU307H, LYS211F, LYS211H, LYS228F, LYS228H, LYS302F, LYS302H, LYS309F, LYS309H, MET177F, MET177H, PHE248F, PHE248H, PHE287F, PHE287H, PRO209F, PRO209H, PRO237F, PRO237H, PRO281F, PRO281H, SER202F, SER202H, SER206F, SER206H, SER242F, SER242H, SER247F, SER247H, SER284F, SER284H, SER304F, SER304H, SER311F, SER311H, SER312F, SER312H, THR174F, THR174H, THR178F, THR178H, THR179F, THR179H, THR204F, THR204H, THR210F, THR210H, THR212F, THR212H, THR238F, THR238H, THR299F, THR299H, THR301F, THR301H, THR51F, THR51H, TRP313F, TRP313H, TYR183F, TYR183H, TYR232F, TYR232H, TYR314F, TYR314H, VAL236F, VAL236H, VAL241F, VAL241H, VAL244F, VAL244H, VAL283F, VAL283H, VAL303F, VAL303H, VAL308F, VAL308H, VAL310F, VAL310H
• G-H: ALA182G, ALA182H, ALA200G, ALA200H, ALA203G, ALA203H, ALA40G, ALA44G, ALA44H, ALA52G, ALA52H, ARG11G, ARG11H, ARG14G, ARG14H, ARG18G, ARG18H, ARG198G, ARG198H, ARG199G, ARG199H, ARG201G, ARG201H, ARG235G, ARG235H, ARG80H, ASN15G, ASN15H, ASN185G, ASN185H, ASN240G, ASN240H, ASN316G, ASN316H, ASN43G, ASN43H, ASP186G, ASP186H, ASP191G, ASP191H, ASP196G, ASP196H, ASP36G, ASP36H, ASP39G, ASP39H, ASP50G, ASP50H, GLN187G, GLN187H, GLN48G, GLN48H, GLU195G, GLU195H, GLU317G, GLU317H, GLY10G, GLY10H, GLY38G, GLY38H, GLY54G, GLY54H, HIS194G, HIS194H, HIS205G, HIS205H, HIS45G, HIS45H, HIS53G, HIS53H, ILE12G, ILE12H, ILE208G, ILE208H, ILE239G, ILE239H, ILE285G, ILE285H, LEU189G, LEU189H, LEU197G, LEU197H, LEU37G, LEU37H, LEU46G, LEU46H, LYS41G, LYS41H, LYS55G, LYS55H, PRO237G, PRO237H, SER202G, SER202H, SER206G, SER206H, THR184G, THR184H, THR190G, THR190H, THR204G, THR204H, THR238G, THR238H, THR42G, THR42H, THR51G, THR51H, TYR183G, TYR183H, TYR193G, TYR193H, TYR49G, TYR49H, TYR9G, TYR9H, VAL188G, VAL188H, VAL192G, VAL192H, VAL236G