3DOC

crystal structure of trka glyceraldehyde-3-phosphate dehydrogenase from brucella melitensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 172
  • Norm. En. per Res.: -4.034
• 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	-33.5722	-28.1548	-320.631	-382.3579	126	9	4	14068	2	30	35
A-C	-66.4769	-97.6691	-529.71	-693.8559	172	16	8	22113	8	47	51
A-D	-5.8878	-82.2907	-108.971	-197.1495	54	2	2	4512	1	36	42
B-C	-13.384	-89.5138	-112.367	-215.2648	55	6	2	4643	3	38	43
B-D	-56.2372	-94.8569	-521.809	-672.9031	174	19	8	22001	8	47	51
C-D	-36.444	-40.8962	-328.367	-405.7072	124	5	3	14069	0	30	34

Interface residues

• A-B: ALA199A, ALA199B, ALA201A, ALA201B, ALA202A, ALA202B, ALA203A, ALA203B, ALA44A, ALA44B, ALA78B, ARG12A, ARG12B, ARG15A, ARG15B, ARG198A, ARG198B, ARG19A, ARG200A, ARG200B, ARG234A, ARG234B, ARG48A, ARG48B, ARG55A, ARG55B, ASN16A, ASN16B, ASN239A, ASN239B, ASN316A, ASN316B, ASN35B, ASN43A, ASN43B, ASP185A, ASP185B, ASP190A, ASP190B, ASP195A, ASP195B, ASP36A, ASP36B, ASP50A, ASP50B, GLN186A, GLN186B, GLU317A, GLU317B, GLU41A, GLU41B, GLY11A, GLY11B, GLY184A, GLY184B, GLY38A, GLY38B, GLY54A, GLY54B, GLY9B, HIS180A, HIS180B, HIS193A, HIS193B, HIS284A, HIS45A, HIS45B, HIS53A, HIS53B, HIS77B, ILE13A, ILE207A, ILE207B, LEU189A, LEU189B, LEU196A, LEU196B, LEU204A, LEU204B, LEU37A, LEU37B, LEU46A, LEU46B, LEU47B, LYS194A, LYS194B, MET192A, MET192B, PHE10A, PHE10B, PRO187A, PRO187B, PRO236A, PRO236B, PRO238A, PRO238B, PRO39A, PRO39B, SER181A, SER181B, SER205A, SER205B, SER51A, SER51B, THR183A, THR183B, THR188A, THR188B, THR191A, THR191B, THR237A, THR237B, THR42A, THR42B, TYR182A, TYR182B, TYR197A, TYR197B, TYR49A, TYR49B, VAL240A, VAL40A, VAL40B, VAL52A, VAL52B, VAL76B
• A-C: ALA199A, ALA199C, ALA201A, ALA201C, ALA202A, ALA202C, ALA203A, ALA203C, ALA214C, ALA232A, ALA232C, ALA249A, ALA249C, ARG198A, ARG198C, ARG200A, ARG200C, ARG234A, ARG234C, ARG309A, ARG309C, ASN239A, ASN239C, ASN316A, ASN316C, ASP190A, ASP190C, ASP195A, ASP195C, ASP229A, ASP229C, ASP244A, ASP244C, ASP278A, ASP278C, ASP285A, ASP285C, ASP298A, ASP298C, ASP304A, ASP304C, GLN186A, GLN186C, GLN299A, GLN299C, GLU172A, GLU172C, GLU252C, GLU279A, GLU279C, GLY174A, GLY174C, GLY226A, GLY226C, GLY230A, GLY230C, GLY305A, GLY305C, HIS180A, HIS180C, HIS284A, HIS284C, HIS296A, HIS296C, ILE171A, ILE171C, ILE179A, ILE179C, ILE207A, ILE207C, ILE233A, ILE233C, ILE248A, ILE248C, ILE310A, ILE310C, LEU196A, LEU196C, LEU204A, LEU204C, LEU228A, LEU228C, LEU245A, LEU245C, LEU281A, LEU281C, LEU311A, LEU311C, LYS173A, LYS173C, LYS194A, LYS215C, LYS227A, LYS227C, LYS280A, LYS280C, LYS301A, LYS301C, MET176A, MET176C, MET206A, MET206C, MET303A, MET303C, MET307A, MET307C, PHE175A, PHE175C, PHE247A, PHE247C, PHE286A, PHE286C, PRO208A, PRO208C, PRO236A, PRO236C, PRO238A, PRO238C, SER181A, SER181C, SER205A, SER205C, SER210A, SER210C, SER241A, SER241C, SER283A, SER283C, THR177A, THR177C, THR178A, THR178C, THR209A, THR209C, THR211A, THR211C, THR237A, THR237C, THR246A, THR246C, THR277A, THR277C, THR297A, THR297C, THR300A, THR300C, THR306A, THR306C, TRP313A, TRP313C, TYR182A, TYR182C, TYR197A, TYR197C, TYR314A, TYR314C, VAL231A, VAL231C, VAL235A, VAL235C, VAL240A, VAL240C, VAL242A, VAL242C, VAL243A, VAL243C, VAL282A, VAL282C, VAL302A, VAL302C, VAL308A, VAL308C
• A-D: ARG48A, ARG48D, ARG55A, ARG55D, ASN287A, ASN287D, ASP278A, ASP278D, ASP285A, ASP285D, ASP289A, ASP289D, ASP50A, ASP50D, GLU279A, GLU279D, GLU41D, GLY54A, GLY54D, HIS284A, HIS284D, HIS288A, HIS288D, HIS291A, HIS291D, HIS45A, HIS45D, HIS53A, HIS53D, LEU204A, LEU204D, LEU281A, LEU281D, LYS280A, LYS280D, PHE286A, PHE286D, PHE56D, SER283A, SER283D, SER51A, SER51D, THR277A, THR277D, TRP313A, TYR276D, TYR49A, TYR49D, VAL282A, VAL282D, VAL294A, VAL294D, VAL52A, VAL52D
• B-C: ARG48B, ARG48C, ARG55B, ARG55C, ASN287B, ASN287C, ASP278C, ASP285B, ASP285C, ASP289B, ASP289C, ASP50B, ASP50C, GLU279B, GLU279C, GLU41C, GLY54B, GLY54C, HIS284B, HIS284C, HIS288B, HIS288C, HIS291B, HIS291C, HIS45B, HIS45C, HIS53B, HIS53C, LEU204B, LEU204C, LEU281B, LEU281C, LYS280B, LYS280C, PHE286B, PHE286C, SER283B, SER283C, SER290B, SER290C, SER51B, SER51C, THR277B, THR277C, TRP313B, TYR276C, TYR49B, TYR49C, VAL282B, VAL282C, VAL294B, VAL294C, VAL52B, VAL52C, VAL60C
• B-D: ALA199B, ALA199D, ALA201B, ALA201D, ALA202B, ALA202D, ALA203B, ALA203D, ALA232B, ALA232D, ALA249B, ALA249D, ARG198B, ARG198D, ARG200B, ARG200D, ARG234B, ARG234D, ARG309B, ARG309D, ASN239B, ASN239D, ASN287B, ASN287D, ASN316B, ASN316D, ASP190B, ASP190D, ASP195B, ASP195D, ASP229B, ASP229D, ASP244B, ASP244D, ASP278B, ASP285B, ASP285D, ASP298B, ASP298D, ASP304B, ASP304D, GLN186B, GLN186D, GLN299B, GLN299D, GLU172B, GLU172D, GLU252D, GLU279B, GLU279D, GLY174B, GLY174D, GLY226B, GLY226D, GLY230B, GLY230D, GLY305B, GLY305D, HIS180B, HIS180D, HIS284B, HIS284D, HIS296B, HIS296D, ILE171B, ILE171D, ILE179B, ILE179D, ILE207B, ILE207D, ILE233B, ILE233D, ILE248B, ILE248D, ILE310B, ILE310D, LEU196B, LEU196D, LEU204B, LEU204D, LEU228B, LEU228D, LEU245B, LEU245D, LEU281B, LEU281D, LEU311B, LEU311D, LYS173B, LYS173D, LYS194B, LYS194D, LYS215D, LYS225D, LYS227B, LYS227D, LYS280B, LYS280D, LYS301B, LYS301D, MET176B, MET176D, MET206B, MET206D, MET303B, MET303D, MET307B, MET307D, PHE175B, PHE175D, PHE247B, PHE247D, PHE286B, PHE286D, PRO208B, PRO208D, PRO236B, PRO236D, PRO238B, PRO238D, SER181B, SER181D, SER205B, SER205D, SER210B, SER210D, SER241B, SER241D, SER283B, SER283D, THR177B, THR177D, THR178B, THR178D, THR209B, THR209D, THR211B, THR211D, THR237B, THR237D, THR246B, THR246D, THR277B, THR277D, THR297B, THR297D, THR300B, THR300D, THR306B, THR306D, TRP313B, TRP313D, TYR182B, TYR182D, TYR197B, TYR197D, TYR314B, TYR314D, VAL231B, VAL231D, VAL235B, VAL235D, VAL240B, VAL240D, VAL242B, VAL242D, VAL243B, VAL243D, VAL282B, VAL282D, VAL302B, VAL302D, VAL308B, VAL308D
• C-D: ALA199C, ALA199D, ALA201C, ALA201D, ALA202C, ALA202D, ALA203C, ALA203D, ALA44C, ALA44D, ALA78C, ALA78D, ARG12C, ARG12D, ARG15C, ARG15D, ARG198C, ARG198D, ARG200C, ARG200D, ARG234C, ARG48C, ARG48D, ARG55C, ARG55D, ASN16C, ASN16D, ASN239C, ASN239D, ASN316C, ASN316D, ASN35C, ASN35D, ASN43C, ASN43D, ASP185C, ASP185D, ASP190C, ASP190D, ASP195C, ASP195D, ASP36C, ASP36D, ASP50C, ASP50D, GLN186C, GLN186D, GLU317C, GLU317D, GLU41C, GLU41D, GLY11C, GLY11D, GLY184C, GLY184D, GLY38C, GLY38D, GLY54C, GLY54D, HIS180C, HIS193C, HIS193D, HIS45C, HIS45D, HIS53C, HIS53D, HIS77C, HIS77D, ILE207C, ILE207D, LEU189C, LEU189D, LEU196C, LEU196D, LEU204C, LEU204D, LEU37C, LEU37D, LEU46C, LEU46D, LEU47C, LEU47D, LYS194C, LYS194D, MET192C, MET192D, PHE10C, PHE10D, PRO187C, PRO187D, PRO236C, PRO236D, PRO238C, PRO238D, PRO39C, PRO39D, SER181C, SER181D, SER205C, SER205D, SER51C, SER51D, THR183C, THR183D, THR188C, THR188D, THR191C, THR191D, THR237C, THR237D, THR42C, THR42D, TYR182C, TYR182D, TYR197C, TYR197D, TYR49C, TYR49D, VAL40C, VAL40D, VAL52C, VAL52D, VAL76C, VAL76D