1SC6

crystal structure of w139g d-3-phosphoglycerate dehydrogenase complexed with nad+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 162
  • Norm. En. per Res.: -3.7178
• 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	-102.4717	-34.9747	-464.841	-602.2874	162	46	10	20320	3	50	41
A-C	-80.7391	-15.6876	-295.556	-391.9827	196	19	9	14563	1	22	28
A-D	-16.4772	0.0	-47.8262	-64.3034	41	3	0	2016	0	2	1
B-C	-19.5348	-6.1436	-49.5775	-75.2559	37	3	0	2018	0	2	1
B-D	-55.1787	-2.9437	-340.979	-399.1014	208	21	10	16150	2	27	32
C-D	-111.0599	-27.1448	-402.126	-540.3306	148	37	13	17936	2	41	36

Interface residues

• A-B: ALA113A, ALA113B, ALA130A, ALA130B, ALA132A, ALA132B, ALA134A, ALA134B, ALA149A, ALA149B, ALA170A, ALA170B, ALA238A, ALA238B, ALA261A, ALA261B, ALA262A, ALA262B, ALA282A, ALA282B, ALA300A, ALA300B, ARG110A, ARG110B, ARG125A, ARG125B, ARG136A, ARG136B, ARG150A, ARG150B, ASN108A, ASN108B, ASN131A, ASN131B, ASN140A, ASN140B, ASN286A, ASN286B, ASN303A, ASN303B, ASP264A, ASP264B, ASP275A, ASP285A, ASP285B, GLN165A, GLN165B, GLN298A, GLN298B, GLU114A, GLU114B, GLU119A, GLU119B, GLU129A, GLU129B, GLU148A, GLU148B, GLU171A, GLU171B, GLU283A, GLU283B, GLU299A, GLU299B, GLU302A, GLY118A, GLY118B, GLY126A, GLY126B, GLY137A, GLY137B, GLY139A, GLY139B, GLY151A, GLY151B, GLY174A, GLY174B, GLY294A, GLY294B, GLY295A, GLY295B, HIS135A, HIS135B, HIS292A, HIS292B, ILE117A, ILE117B, ILE168A, ILE168B, ILE263A, ILE263B, ILE293A, ILE293B, ILE84B, LEU115A, LEU115B, LEU120A, LEU120B, LEU121A, LEU121B, LEU122A, LEU122B, LEU123A, LEU123B, LEU124A, LEU124B, LEU166B, LEU169A, LEU169B, LEU173A, LEU173B, LEU253A, LEU253B, LEU281A, LEU281B, LEU288A, LEU288B, LEU289A, LEU289B, LYS133A, LYS133B, LYS152A, LYS152B, PHE106A, PHE147A, PHE147B, PHE284A, PHE284B, PRO128A, PRO128B, PRO291A, PRO291B, SER107A, SER107B, SER111A, SER111B, SER146A, SER146B, SER172A, SER172B, SER239B, SER279A, SER279B, SER296A, SER296B, THR109A, THR109B, THR278A, THR290A, THR290B, THR297A, THR297B, VAL112A, VAL112B, VAL116A, VAL116B, VAL127A, VAL127B, VAL138A, VAL138B, VAL265A, VAL287A, VAL287B
• A-C: ALA191A, ALA191C, ALA23A, ALA29A, ALA29C, ALA309A, ALA309C, ALA30A, ALA353A, ALA353C, ALA359A, ALA359C, ALA366A, ALA366C, ALA367A, ALA367C, ARG110A, ARG110C, ARG28A, ARG339A, ARG339C, ARG347A, ARG347C, ASN108A, ASN108C, ASN184A, ASN184C, ASN190A, ASN190C, ASN214C, ASN303A, ASN303C, ASN318C, ASN346A, ASN346C, ASN355A, ASN355C, ASN364A, ASN364C, ASP199C, ASP382A, ASP382C, GLN165A, GLN165C, GLN193A, GLN193C, GLN195A, GLN195C, GLN368A, GLN368C, GLN371A, GLN371C, GLU114C, GLU171A, GLU171C, GLU183A, GLU183C, GLU25A, GLU25C, GLU302A, GLU302C, GLU307A, GLU307C, GLU329A, GLU329C, GLU360A, GLU360C, GLU384A, GLY160A, GLY189A, GLY189C, GLY305A, GLY305C, GLY310A, GLY310C, GLY31A, GLY349A, GLY349C, GLY362A, GLY362C, GLY377A, GLY377C, HIS161A, HIS161C, HIS196A, HIS196C, HIS335A, HIS335C, HIS344A, HIS344C, ILE162A, ILE162C, ILE168A, ILE168C, ILE182A, ILE182C, ILE304A, ILE313A, ILE313C, ILE357A, ILE357C, ILE365A, ILE365C, ILE381A, ILE381C, LEU166A, LEU169A, LEU169C, LEU186A, LEU186C, LEU188A, LEU188C, LEU24A, LEU27A, LEU306A, LEU306C, LEU322A, LEU322C, LEU332A, LEU332C, LEU334A, LEU334C, LEU351A, LEU351C, LEU354A, LEU354C, LEU370A, LEU370C, LYS185A, LYS185C, LYS22A, LYS311A, LYS311C, LYS314A, LYS314C, LYS356A, LYS356C, PHE106A, PHE106C, PHE179A, PHE179C, PHE358A, PHE358C, PRO105A, PRO105C, PRO187A, PRO187C, PRO328A, PRO328C, PRO333A, PRO333C, PRO348A, PRO348C, SER107A, SER107C, SER111A, SER111C, SER172A, SER172C, SER26A, SER26C, SER320A, SER331A, SER331C, SER373A, SER373C, THR109A, THR109C, THR164A, THR164C, THR192A, THR192C, THR352A, THR352C, THR372A, THR372C, TYR159A, TYR178C, TYR180C, TYR369A, TYR369C, TYR378A, TYR378C, VAL194C, VAL308A, VAL308C, VAL330A, VAL330C, VAL350A, VAL350C, VAL363A, VAL363C, VAL379A, VAL379C, VAL380A, VAL380C
• A-D: ALA149A, ALA149D, ALA170A, ALA170D, ALA191A, ALA191D, ARG150A, ARG150D, ASN190A, ASN190D, GLU148A, GLU148D, GLU171A, GLU171D, GLY151A, GLY151D, GLY174A, GLY174D, GLY189A, GLY189D, ILE168D, LEU173A, LEU173D, LEU186A, LEU186D, LEU188A, LEU188D, LYS152A, LYS152D, PRO187A, PRO187D, SER172A, SER172D, THR192A, THR192D, TYR159D, TYR176A, TYR176D, TYR178A, TYR178D, VAL177D
• B-C: ALA149B, ALA149C, ALA170B, ALA170C, ALA191B, ALA191C, ARG150B, ARG150C, ASN190B, ASN190C, GLU171B, GLU171C, GLY151B, GLY151C, GLY174B, GLY174C, GLY189B, GLY189C, ILE168B, LEU173B, LEU173C, LEU186B, LEU186C, LEU188B, LEU188C, LYS152B, LYS152C, PRO187B, PRO187C, SER172B, SER172C, THR192B, THR192C, TYR159B, TYR176B, TYR176C, TYR178B
• B-D: ALA191B, ALA191D, ALA23D, ALA29B, ALA29D, ALA300B, ALA309B, ALA309D, ALA30D, ALA353B, ALA353D, ALA359B, ALA359D, ALA366B, ALA366D, ALA367B, ALA367D, ALA374B, ALA374D, ARG110B, ARG110D, ARG28D, ARG339B, ARG339D, ARG347B, ARG347D, ASN108B, ASN108D, ASN184B, ASN184D, ASN190B, ASN190D, ASN214B, ASN303B, ASN303D, ASN318D, ASN346B, ASN346D, ASN355B, ASN355D, ASN364B, ASN364D, ASP181B, ASP199B, ASP382B, ASP382D, GLN165B, GLN165D, GLN193B, GLN193D, GLN195B, GLN195D, GLN361D, GLN368B, GLN368D, GLN371B, GLN371D, GLN375B, GLU114B, GLU114D, GLU171B, GLU171D, GLU183B, GLU183D, GLU25B, GLU25D, GLU302B, GLU302D, GLU307B, GLU307D, GLU329B, GLU329D, GLU360D, GLU384B, GLU384D, GLY160D, GLY189B, GLY189D, GLY305B, GLY305D, GLY310B, GLY310D, GLY31D, GLY336D, GLY349B, GLY349D, GLY362B, GLY362D, GLY377B, GLY377D, HIS161B, HIS161D, HIS196B, HIS196D, HIS335B, HIS335D, HIS344B, HIS344D, ILE162B, ILE162D, ILE168B, ILE168D, ILE182B, ILE182D, ILE304B, ILE304D, ILE313B, ILE313D, ILE357D, ILE365B, ILE365D, ILE381B, ILE381D, LEU166B, LEU166D, LEU169B, LEU169D, LEU186B, LEU186D, LEU188B, LEU188D, LEU197B, LEU24D, LEU27D, LEU306B, LEU306D, LEU322B, LEU322D, LEU332B, LEU332D, LEU334B, LEU334D, LEU351B, LEU351D, LEU354B, LEU354D, LEU370B, LEU370D, LYS185B, LYS185D, LYS22B, LYS22D, LYS311D, LYS314B, LYS314D, LYS356B, LYS356D, PHE106B, PHE106D, PHE179B, PHE179D, PHE358B, PHE358D, PRO105B, PRO105D, PRO187B, PRO187D, PRO215B, PRO328B, PRO328D, PRO333B, PRO333D, PRO348B, PRO348D, SER107B, SER107D, SER111B, SER111D, SER172B, SER172D, SER216B, SER26B, SER26D, SER331B, SER331D, SER373B, SER373D, THR109B, THR109D, THR164B, THR164D, THR192B, THR192D, THR352B, THR352D, THR372B, THR372D, TYR159D, TYR178B, TYR180B, TYR369B, TYR369D, TYR378B, TYR378D, VAL194B, VAL194D, VAL308B, VAL308D, VAL330B, VAL330D, VAL350B, VAL350D, VAL363B, VAL363D, VAL379B, VAL379D, VAL380B, VAL380D
• C-D: ALA113C, ALA113D, ALA130C, ALA130D, ALA132C, ALA132D, ALA134C, ALA134D, ALA149C, ALA149D, ALA170C, ALA170D, ALA238C, ALA238D, ALA261C, ALA261D, ALA262C, ALA262D, ALA282C, ALA282D, ALA300C, ALA300D, ARG110C, ARG110D, ARG125C, ARG125D, ARG136C, ARG136D, ARG150C, ARG150D, ASN108C, ASN108D, ASN131C, ASN131D, ASN140C, ASN286C, ASN286D, ASN303C, ASN303D, ASP285C, ASP285D, GLN165C, GLN165D, GLN298D, GLU114C, GLU114D, GLU119C, GLU119D, GLU129C, GLU129D, GLU148C, GLU148D, GLU171C, GLU171D, GLU283C, GLU283D, GLU299C, GLU299D, GLU302D, GLY118C, GLY118D, GLY126C, GLY126D, GLY137C, GLY137D, GLY139C, GLY139D, GLY145C, GLY151C, GLY151D, GLY174C, GLY174D, HIS135C, HIS135D, ILE117C, ILE117D, ILE168C, ILE168D, ILE263C, ILE263D, LEU115C, LEU115D, LEU120C, LEU120D, LEU121C, LEU121D, LEU122C, LEU122D, LEU123C, LEU123D, LEU124C, LEU124D, LEU169C, LEU169D, LEU173C, LEU173D, LEU253C, LEU253D, LEU281C, LEU281D, LEU288C, LEU288D, LEU289C, LEU289D, LYS133C, LYS133D, LYS152C, LYS152D, PHE106C, PHE106D, PHE147C, PHE147D, PHE284C, PHE284D, PRO128C, PRO128D, PRO276D, PRO291C, PRO291D, SER107C, SER107D, SER111C, SER111D, SER146C, SER146D, SER172C, SER172D, SER279C, SER279D, SER296D, THR109C, THR109D, THR278D, THR290C, THR290D, THR297D, VAL112C, VAL112D, VAL116C, VAL116D, VAL127C, VAL127D, VAL138C, VAL138D, VAL265C, VAL265D, VAL287C, VAL287D