3C09

crystal structure the fab fragment of matuzumab (fab72000) in complex with domain iii of the extracellular region of egfr

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: H-D
  • Int. Res.: 59
  • Norm. En. per Res.: -3.6726
• Hub Node: H(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
L-H	-9.6131	-11.9617	-440.697	-462.2719	178	24	12	16775	0	24	21
L-D	0.0	-20.6875	-47.2756	-67.9631	31	4	0	1817	3	5	6
H-A	-5.83	0.0	-40.5936	-46.4236	32	3	1	2019	0	8	13
H-C	0.0	0.0	-2.9358	-2.9358	9	0	0	125	0	6	7
H-D	-24.1489	-29.1158	-163.421	-216.6857	59	8	0	6128	2	11	16
A-B	-32.3155	-22.3519	-36.8725	-91.5399	30	9	0	1687	2	5	5
A-C	-47.5118	-13.3378	-151.851	-212.7006	61	13	0	5721	1	13	16
B-C	-9.984	-11.9646	-314.144	-336.0926	140	19	8	11485	0	19	16
C-D	-11.0328	0.0	-28.7997	-39.8325	35	1	1	1650	0	8	14

Interface residues

• L-H: ALA129L, ALA133H, ALA144H, ALA145H, ALA176H, ALA40H, ALA42L, ALA54L, ALA97H, ARG106H, ARG210L, ARG38H, ARG57H, ARG99H, ASN136L, ASN137L, ASN157L, ASN52L, ASN59H, ASN61H, ASP100H, ASP109H, ASP121L, ASP152H, ASP166L, ASP169L, ASP1L, ASP49L, CYS133L, CYS148H, CYS87L, CYS96H, GLN113H, GLN123L, GLN159L, GLN165L, GLN179H, GLN36L, GLN37L, GLN39H, GLN43H, GLN6H, GLN6L, GLN88L, GLN89L, GLN99L, GLU122L, GLU160L, GLU164L, GLU46H, GLU50H, GLU62H, GLY100L, GLY105H, GLY112H, GLY114H, GLY127L, GLY147H, GLY156L, GLY170H, GLY182H, GLY40L, GLY42H, GLY44H, GLY49H, GLY98L, HIS172H, HIS35H, HIS93L, ILE116L, ILE47L, ILE48H, ILE94L, LEU124L, LEU132H, LEU134L, LEU135L, LEU146H, LEU149H, LEU174L, LEU178H, LEU180L, LEU183H, LEU186H, LEU45H, LEU45L, LEU46L, LYS125L, LYS151H, LYS168L, LYS206L, LYS222H, LYS38L, LYS41L, LYS44L, MET32L, PHE108H, PHE115L, PHE117L, PHE130H, PHE138L, PHE174H, PHE208L, PHE95L, PHE97L, PRO118L, PRO119L, PRO131H, PRO134H, PRO175H, PRO43L, SER113L, SER120L, SER126L, SER128H, SER130L, SER135H, SER158L, SER161L, SER167L, SER173L, SER175L, SER176L, SER180H, SER181H, SER181L, SER185H, SER187H, SER188H, SER194H, SER207L, SER55L, SER92L, SER98H, THR128L, THR143H, THR163L, THR171L, THR173H, THR177L, THR179L, THR191H, THR30L, THR58H, THR84L, THR96L, TRP111H, TRP33H, TRP36H, TRP47H, TRP90L, TYR101H, TYR107H, TYR110H, TYR172L, TYR184H, TYR31L, TYR33L, TYR35L, TYR48L, TYR60H, TYR85L, TYR86L, TYR95H, VAL114L, VAL129H, VAL131L, VAL132L, VAL150H, VAL162L, VAL171H, VAL177H, VAL189H, VAL190H, VAL192H, VAL219H, VAL37H, VAL93H
• L-D: ARG403D, ARG405D, ASN52L, ASP434D, ASP436D, ASP49L, GLN411D, GLN462D, GLN88L, GLY404D, GLY410D, GLY435D, GLY458D, GLY461D, HIS93L, ILE432D, ILE94L, LYS407D, LYS463D, PHE457D, PHE95L, SER433D, SER460D, SER91L, SER92L, THR30L, THR459D, TRP90L, TYR31L, TYR33L, TYR48L
• H-A: ALA122H, ALA16H, ARG403A, ARG405A, ARG87H, ASN314A, CYS313A, GLU320A, GLU376A, GLY15H, GLY315A, GLY319A, GLY343A, ILE318A, ILE341A, LEU86H, LYS12H, LYS13H, LYS322A, PHE321A, PRO14H, SER120H, SER121H, SER123H, SER17H, SER340A, SER342A, SER84H, SER85H, THR378A, THR406A, VAL312A
• H-C: ASN61C, GLU62C, GLU62H, LYS63C, LYS63H, LYS65C, LYS65H, PHE64C, SER66C
• H-D: ALA104H, ALA448D, ARG106H, ARG57H, ARG99H, ASN449D, ASN452D, ASN469D, ASN52H, ASN55H, ASN59H, ASP100H, ASP102H, GLN462D, GLU400D, GLU431D, GLU50H, GLY105H, GLY458D, GLY461D, GLY56H, HIS32H, HIS35H, ILE401D, ILE402D, ILE432D, ILE439D, ILE451D, ILE466D, ILE467D, LEU456D, LYS430D, LYS454D, LYS455D, LYS463D, LYS465D, MET34H, PHE108H, PHE29H, PHE457D, PHE51H, PRO53H, SER31H, SER433D, SER460D, SER54H, THR28H, THR30H, THR450D, THR459D, THR464D, THR58H, TRP33H, TRP453D, TRP47H, TYR101H, TYR103H, TYR107H, VAL437D
• A-B: ARG403A, ARG405A, ASN52B, ASP434A, ASP436A, ASP49B, GLN411A, GLN462A, GLN88B, GLY404A, GLY435A, GLY458A, GLY461A, HIS93B, ILE432A, ILE94B, LYS407A, LYS463A, PHE457A, PHE95B, SER433A, SER460A, SER91B, SER92B, THR30B, THR459A, TRP90B, TYR31B, TYR33B, TYR48B
• A-C: ALA104C, ALA448A, ARG106C, ARG57C, ARG99C, ASN449A, ASN452A, ASN469A, ASN52C, ASN55C, ASN59C, ASP100C, ASP102C, ASP436A, GLN462A, GLU431A, GLU472A, GLU50C, GLY105C, GLY458A, GLY461A, GLY49C, GLY56C, HIS32C, HIS35C, ILE432A, ILE439A, ILE451A, ILE466A, ILE467A, LEU456A, LYS430A, LYS454A, LYS455A, LYS463A, LYS465A, MET34C, PHE108C, PHE29C, PHE457A, PHE51C, PRO53C, SER31C, SER433A, SER460A, SER54C, SER98C, THR28C, THR30C, THR450A, THR459A, THR464A, THR58C, TRP33C, TRP453A, TRP47C, TYR101C, TYR103C, TYR107C, TYR447A, VAL437A
• B-C: ALA104C, ALA176C, ALA42B, ALA54B, ALA97C, ARG106C, ARG38C, ARG99C, ASN136B, ASN137B, ASN52B, ASN59C, ASN61C, ASP100C, ASP102C, ASP109C, ASP152C, ASP166B, ASP169B, ASP49B, CYS133B, CYS148C, CYS87B, CYS96C, GLN113C, GLN123B, GLN159B, GLN165B, GLN179C, GLN36B, GLN37B, GLN39C, GLN43C, GLN6C, GLN88B, GLN89B, GLN99B, GLU122B, GLU160B, GLU164B, GLU46C, GLU50C, GLU62C, GLY100B, GLY105C, GLY112C, GLY114C, GLY147C, GLY170C, GLY40B, GLY42C, GLY44C, GLY49C, GLY98B, HIS172C, HIS35C, HIS93B, ILE47B, ILE48C, ILE94B, LEU134B, LEU135B, LEU149C, LEU174B, LEU178C, LEU186C, LEU45B, LEU45C, LEU46B, LEU53B, LYS151C, LYS38B, LYS41B, LYS44B, LYS63C, MET32B, PHE108C, PHE115B, PHE117B, PHE138B, PHE174C, PHE95B, PHE97B, PRO175C, PRO39B, PRO43B, SER113B, SER120B, SER128C, SER130B, SER158B, SER161B, SER173B, SER175B, SER176B, SER180C, SER185C, SER187C, SER188C, SER55B, SER91B, SER92B, SER98C, THR128B, THR163B, THR171B, THR173C, THR177B, THR179B, THR191C, THR30B, THR58C, THR84B, THR96B, TRP111C, TRP33C, TRP36C, TRP47C, TRP90B, TYR101C, TYR107C, TYR110C, TYR172B, TYR31B, TYR33B, TYR35B, TYR48B, TYR60C, TYR85B, TYR86B, TYR95C, VAL132B, VAL162B, VAL171C, VAL177C, VAL189C, VAL190C, VAL192C, VAL37C, VAL93C
• C-D: ALA122C, ALA16C, ARG403D, ARG405D, ARG87C, ASN314D, CYS313D, GLU320D, GLU376D, GLY15C, GLY315D, GLY317D, GLY319D, GLY343D, GLY379D, ILE318D, ILE341D, LEU86C, LYS12C, LYS13C, LYS322D, PHE321D, PRO14C, SER120C, SER121C, SER123C, SER17C, SER340D, SER342D, SER84C, SER85C, THR378D, THR406D, VAL119C, VAL312D