3HJA

crystal structure of glyceraldehyde-3-phosphate dehydrogenase from borrelia burgdorferi

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 181
  • Norm. En. per Res.: -4.5415
• 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	-39.2926	-22.7554	-368.731	-430.779	122	6	8	15375	0	34	45
A-C	0.0	-10.1054	-82.2514	-92.3568	51	3	2	3500	0	24	11
A-D	-94.6845	-104.024	-623.303	-822.0115	181	35	20	24598	17	48	24
B-C	-104.5668	-80.7314	-624.429	-809.7272	180	38	20	24560	17	49	23
B-D	0.0	-9.6331	-78.7583	-88.3914	51	1	2	3388	0	23	11
C-D	-49.0685	-21.2938	-369.356	-439.7183	121	5	8	15447	0	34	47

Interface residues

• A-B: ALA181A, ALA181B, ALA199A, ALA199B, ALA201A, ALA201B, ALA202A, ALA202B, ALA203A, ALA203B, ALA39A, ALA39B, ARG10A, ARG10B, ARG13A, ARG13B, ARG187A, ARG187B, ARG197A, ARG197B, ARG198A, ARG198B, ARG200A, ARG200B, ARG234A, ARG234B, ASN184A, ASN184B, ASN318A, ASN318B, ASP185A, ASP185B, ASP190A, ASP190B, ASP195A, ASP195B, ASP31A, ASP31B, ASP34A, ASP34B, ASP45A, ASP45B, GLN186A, GLN186B, GLU319A, GLU319B, GLY49A, GLY49B, GLY9A, GLY9B, HIS180A, HIS193A, HIS193B, HIS40A, HIS40B, ILE188A, ILE188B, ILE207A, ILE207B, LEU189A, LEU189B, LEU191A, LEU191B, LEU196A, LEU196B, LEU204A, LEU204B, LEU32A, LEU32B, LEU38A, LEU38B, LEU41A, LEU41B, LEU42A, LEU42B, LYS289A, LYS289B, LYS36A, LYS36B, LYS43A, LYS43B, PHE48A, PHE48B, PHE8A, PHE8B, PRO192A, PRO192B, PRO236A, PRO236B, PRO238A, PRO238B, SER194A, SER194B, SER205A, SER205B, SER46A, SER46B, SER57A, SER57B, THR183A, THR183B, THR239A, THR239B, THR33A, THR33B, THR37A, THR37B, THR47A, THR47B, THR94A, THR94B, TYR182A, TYR182B, TYR44A, TYR44B, TYR51A, TYR51B, VAL235A, VAL237A, VAL237B, VAL50A, VAL50B
• A-C: ALA203A, ALA203C, ASN291A, ASN291C, ASP281A, ASP281C, ASP287A, ASP287C, ASP45A, ASP45C, GLU280A, GLU280C, GLY49A, GLY49C, HIS40A, HIS40C, ILE283A, ILE283C, ILE288A, ILE288C, LEU204A, LEU204C, LEU300A, LEU300C, LYS289A, LYS289C, LYS43A, LYS43C, PHE48A, PHE48C, PRO238A, PRO282A, PRO282C, SER285A, SER285C, SER286A, SER286C, SER46A, SER46C, THR279A, THR279C, THR47A, THR47C, TYR44A, TYR44C, TYR51A, TYR51C, VAL284A, VAL284C, VAL50A, VAL50C
• A-D: ALA181A, ALA181D, ALA199A, ALA199D, ALA201A, ALA201D, ALA202A, ALA202D, ALA203A, ALA203D, ALA214A, ALA214D, ALA310A, ALA310D, ARG197A, ARG197D, ARG198A, ARG198D, ARG200A, ARG200D, ARG234A, ARG234D, ASN229A, ASN229D, ASN307A, ASN307D, ASN318A, ASN318D, ASP190A, ASP190D, ASP195A, ASP195D, ASP244A, ASP244D, ASP281A, ASP281D, ASP287A, ASP287D, ASP298A, ASP298D, GLN173A, GLN173D, GLN186A, GLN186D, GLN248A, GLN248D, GLU172A, GLU172D, GLU280A, GLU280D, GLU301A, GLU301D, GLU306A, GLU306D, GLY174A, GLY174D, GLY212A, GLY212D, GLY226A, GLY226D, GLY230A, GLY230D, GLY240A, GLY240D, GLY299A, GLY299D, GLY308A, GLY308D, HIS180A, HIS180D, ILE171A, ILE171D, ILE206A, ILE206D, ILE207A, ILE207D, ILE242A, ILE242D, ILE283A, ILE283D, ILE288A, ILE288D, ILE312A, ILE312D, LEU175A, LEU175D, LEU196A, LEU196D, LEU204A, LEU204D, LEU224D, LEU228A, LEU228D, LEU245A, LEU245D, LEU249A, LEU300A, LEU300D, LEU305A, LEU305D, LEU313A, LEU313D, LYS215A, LYS215D, LYS225D, LYS227A, LYS227D, LYS252A, LYS252D, LYS256A, LYS289A, LYS289D, LYS311A, LYS311D, MET176A, MET176D, MET233A, MET233D, MET303A, MET303D, PHE309A, PHE309D, PRO208A, PRO208D, PRO236A, PRO236D, PRO238A, PRO238D, PRO282A, PRO282D, SER205A, SER205D, SER210A, SER210D, SER232A, SER232D, SER241A, SER241D, SER285A, SER285D, SER286A, SER286D, SER314A, THR177A, THR177D, THR178A, THR178D, THR209A, THR209D, THR211A, THR211D, THR231A, THR231D, THR239A, THR239D, THR246A, THR246D, THR279A, THR279D, THR302A, THR302D, TRP315A, TRP315D, TYR182A, TYR182D, TYR316A, TYR316D, VAL179A, VAL179D, VAL235A, VAL235D, VAL237A, VAL237D, VAL243A, VAL243D, VAL247A, VAL247D, VAL284A, VAL284D, VAL304A, VAL304D
• B-C: ALA181B, ALA181C, ALA199B, ALA199C, ALA201B, ALA201C, ALA202B, ALA202C, ALA203B, ALA203C, ALA214B, ALA214C, ALA310B, ALA310C, ARG197B, ARG197C, ARG198B, ARG198C, ARG200B, ARG200C, ARG234B, ARG234C, ASN229B, ASN229C, ASN307B, ASN307C, ASN318B, ASN318C, ASP190B, ASP190C, ASP195B, ASP195C, ASP244B, ASP244C, ASP281B, ASP281C, ASP287B, ASP287C, ASP298B, ASP298C, GLN173B, GLN173C, GLN186B, GLN186C, GLN248B, GLN248C, GLU172B, GLU172C, GLU280B, GLU280C, GLU301B, GLU301C, GLU306B, GLU306C, GLY174B, GLY174C, GLY212B, GLY212C, GLY226B, GLY226C, GLY230B, GLY230C, GLY240B, GLY240C, GLY299B, GLY299C, GLY308B, GLY308C, HIS180B, HIS180C, ILE171B, ILE171C, ILE206B, ILE206C, ILE207B, ILE207C, ILE242B, ILE242C, ILE283B, ILE283C, ILE288B, ILE288C, ILE312B, ILE312C, LEU175B, LEU175C, LEU196B, LEU196C, LEU204B, LEU204C, LEU224C, LEU228B, LEU228C, LEU245B, LEU245C, LEU249B, LEU300B, LEU300C, LEU305B, LEU305C, LEU313B, LEU313C, LYS215B, LYS215C, LYS225C, LYS227B, LYS227C, LYS252B, LYS252C, LYS289B, LYS289C, LYS311B, LYS311C, MET176B, MET176C, MET233B, MET233C, MET303B, MET303C, PHE309B, PHE309C, PRO208B, PRO208C, PRO236B, PRO236C, PRO238B, PRO238C, PRO282B, PRO282C, SER205B, SER205C, SER210B, SER210C, SER232B, SER232C, SER241B, SER241C, SER285B, SER285C, SER286B, SER286C, SER314C, THR177B, THR177C, THR178B, THR178C, THR209B, THR209C, THR211B, THR211C, THR231B, THR231C, THR239B, THR239C, THR246B, THR246C, THR279B, THR279C, THR302B, THR302C, TRP315B, TRP315C, TYR182B, TYR182C, TYR316B, TYR316C, VAL179B, VAL179C, VAL235B, VAL235C, VAL237B, VAL237C, VAL243B, VAL243C, VAL247B, VAL247C, VAL284B, VAL284C, VAL304B, VAL304C
• B-D: ALA203B, ASN291B, ASN291D, ASP281B, ASP281D, ASP287B, ASP287D, ASP45B, ASP45D, GLU280B, GLU280D, GLY49B, GLY49D, HIS40B, HIS40D, ILE283B, ILE283D, ILE288B, ILE288D, LEU204B, LEU204D, LEU300B, LEU300D, LYS289B, LYS289D, LYS43B, LYS43D, PHE48B, PHE48D, PRO238B, PRO238D, PRO282B, PRO282D, SER285B, SER285D, SER286B, SER286D, SER46B, SER46D, THR279B, THR279D, THR47B, THR47D, TYR44B, TYR44D, TYR51B, TYR51D, VAL284B, VAL284D, VAL50B, VAL50D
• C-D: ALA181C, ALA181D, ALA199C, ALA199D, ALA201C, ALA201D, ALA202C, ALA202D, ALA203C, ALA203D, ALA39C, ALA39D, ARG10C, ARG10D, ARG13C, ARG13D, ARG187C, ARG187D, ARG197C, ARG197D, ARG198C, ARG198D, ARG200C, ARG200D, ARG234C, ARG234D, ASN184C, ASN184D, ASN318C, ASN318D, ASP185C, ASP185D, ASP190C, ASP190D, ASP195C, ASP195D, ASP31C, ASP31D, ASP34C, ASP34D, ASP45C, ASP45D, GLN186C, GLN186D, GLU319C, GLU319D, GLY49C, GLY49D, GLY7D, GLY9C, GLY9D, HIS180C, HIS180D, HIS193C, HIS193D, HIS40C, HIS40D, ILE188C, ILE188D, ILE207C, ILE207D, LEU189C, LEU189D, LEU191C, LEU191D, LEU196C, LEU196D, LEU204C, LEU204D, LEU32C, LEU32D, LEU38C, LEU38D, LEU41C, LEU41D, LEU42C, LEU42D, LYS289C, LYS289D, LYS36C, LYS36D, LYS43C, LYS43D, PHE48C, PHE48D, PHE8C, PHE8D, PRO192C, PRO192D, PRO236C, PRO236D, PRO238C, PRO238D, SER194C, SER194D, SER205C, SER205D, SER46C, SER46D, THR183C, THR183D, THR239C, THR239D, THR33C, THR33D, THR37C, THR37D, THR47C, THR47D, TYR182C, TYR182D, TYR44C, TYR44D, TYR51C, TYR51D, VAL235C, VAL235D, VAL237C, VAL237D, VAL50C, VAL50D