Summary Geometry PCM/PTM Related PDB entries

IC4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	O14	sing	1.43Å	1.43Å
O14	C1	sing	1.38Å	1.38Å
C1	C6	doub	1.40Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.41Å	Aromatic
O13	C2	sing	1.24Å	1.39Å
O13	CU1	sing	2.12Å	2.03Å
C6	C5	sing	1.39Å	1.39Å	Aromatic
C2	C3	doub	1.39Å	1.40Å	Aromatic
CU1	S12	sing	2.20Å	2.37Å
CU1	N8	sing	1.98Å	2.02Å
C5	C4	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.40Å	1.39Å	Aromatic
C3	C7	sing	1.45Å	1.49Å
S12	C10	doub	1.69Å	1.67Å
C7	N8	doub	1.27Å	1.27Å
N8	N9	sing	1.38Å	1.27Å
N9	C10	sing	1.36Å	1.28Å
C10	N11	sing	1.35Å	1.34Å
N11	C16	sing	1.48Å	1.46Å
N11	C17	sing	1.49Å	1.46Å
C4	H1	sing	0.94Å	1.08Å
C5	H2	sing	0.94Å	1.08Å
C6	H3	sing	0.94Å	1.08Å
C7	H4	sing	0.94Å	1.08Å
C15	H9	sing	0.97Å	1.10Å
C15	H10	sing	0.97Å	1.10Å
C15	H11	sing	0.97Å	1.10Å
C16	H12	sing	0.97Å	1.10Å
C16	H13	sing	0.98Å	1.10Å
C16	H14	sing	0.97Å	1.10Å
C17	H15	sing	0.97Å	1.10Å
C17	H16	sing	0.97Å	1.10Å
C17	H17	sing	0.97Å	1.10Å
H5	N9	sing	0.89Å	1.00Å
CL1	CU1	sing	2.26Å	43.85Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	O14	C1	124.0°	122.6°
O14	C15	H9	109.5°	109.6°
O14	C15	H10	109.5°	109.3°
O14	C15	H11	109.5°	109.6°
O14	C1	C6	115.4°	126.7°
O14	C1	C2	124.5°	114.8°
C6	C1	C2	120.1°	118.4°
C1	C6	C5	120.1°	120.8°
C1	C6	H3	119.9°	120.1°
C1	C2	O13	122.3°	123.6°
C1	C2	C3	119.1°	120.4°
C2	O13	CU1	121.4°	105.8°
O13	C2	C3	118.6°	114.5°
O13	CU1	S12	157.0°	171.5°
O13	CU1	N8	89.5°	99.6°
O13	CU1	CL1	52.0°	88.2°
C6	C5	C4	120.1°	120.3°
C6	C5	H2	119.9°	119.7°
C5	C6	H3	120.0°	119.0°
C2	C3	C4	120.4°	119.9°
C2	C3	C7	122.7°	114.5°
S12	CU1	N8	79.0°	76.0°
CU1	S12	C10	97.9°	102.8°
S12	CU1	CL1	110.1°	96.1°
CU1	N8	C7	122.2°	92.6°
CU1	N8	N9	120.4°	112.6°
N8	CU1	CL1	100.0°	172.1°
C5	C4	C3	120.1°	119.2°
C5	C4	H1	119.9°	120.6°
C4	C5	H2	120.0°	120.0°
C4	C3	C7	116.9°	124.3°
C3	C4	H1	119.9°	120.1°
C3	C7	N8	126.4°	118.2°
C3	C7	H4	116.8°	120.7°
S12	C10	N9	117.9°	109.4°
S12	C10	N11	120.0°	131.0°
C7	N8	N9	117.5°	121.3°
N8	C7	H4	116.8°	121.1°
N8	N9	C10	123.1°	115.7°
N8	N9	H5	118.4°	121.6°
N9	C10	N11	122.1°	119.6°
C10	N9	H5	118.4°	122.5°
C10	N11	C16	121.0°	121.8°
C10	N11	C17	122.7°	124.2°
C16	N11	C17	116.3°	113.9°
N11	C16	H12	109.5°	110.3°
N11	C16	H13	109.4°	109.7°
N11	C16	H14	109.5°	109.5°
N11	C17	H15	109.5°	110.1°
N11	C17	H16	109.5°	110.2°
N11	C17	H17	109.5°	109.3°
H9	C15	H10	109.5°	109.3°
H9	C15	H11	109.5°	109.6°
H10	C15	H11	109.5°	109.4°
H12	C16	H13	109.5°	108.8°
H12	C16	H14	109.4°	109.1°
H13	C16	H14	109.5°	109.3°
H15	C17	H16	109.4°	108.8°
H15	C17	H17	109.5°	109.2°
H16	C17	H17	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	O14	C1	C6	132.7°	3.2°
C15	O14	C1	C2	48.4°	173.3°
O14	C15	H9	H10	120.0°	119.8°
O14	C15	H9	H11	120.0°	120.3°
O14	C15	H10	H11	120.0°	120.0°
O14	C1	C6	C2	178.9°	176.4°
O14	C1	C2	O13	0.3°	8.7°
O14	C1	C6	C5	179.4°	179.7°
O14	C1	C2	C3	179.7°	174.1°
O14	C1	C6	H3	0.6°	0.7°
C1	O14	C15	H9	180.0°	58.3°
C1	O14	C15	H10	60.0°	178.1°
C1	O14	C15	H11	60.0°	62.0°
C6	C1	C2	O13	179.1°	174.5°
C1	C6	C5	H3	180.0°	179.5°
C6	C1	C2	C3	0.8°	9.1°
C1	C6	C5	C4	0.4°	0.5°
C1	C6	C5	H2	179.6°	179.8°
C1	C2	O13	C3	179.9°	166.2°
C1	C2	O13	CU1	140.5°	123.5°
C2	C1	C6	C5	0.4°	3.4°
C1	C2	C3	C4	1.2°	12.0°
C1	C2	C3	C7	179.4°	179.8°
C2	C1	C6	H3	179.5°	177.1°
C2	O13	CU1	S12	101.5°	112.1°
C2	O13	CU1	N8	42.0°	53.8°
O13	C2	C3	C4	178.7°	178.7°
O13	C2	C3	C7	0.5°	13.5°
C2	O13	CU1	CL1	145.2°	127.1°
CU1	O13	C2	C3	39.6°	42.7°
O13	CU1	S12	N8	61.3°	59.8°
O13	CU1	S12	CL1	35.4°	120.3°
O13	CU1	N8	CL1	51.2°	173.5°
O13	CU1	S12	C10	59.9°	28.7°
O13	CU1	N8	C7	12.7°	1.8°
O13	CU1	N8	N9	165.8°	127.4°
C6	C5	C4	H2	180.0°	179.8°
C6	C5	C4	C3	0.7°	3.2°
C6	C5	C4	H1	179.3°	179.8°
C2	C3	C4	C5	1.1°	8.9°
C2	C3	C4	C7	178.3°	166.5°
C2	C3	C7	N8	34.3°	100.6°
C2	C3	C4	H1	178.9°	174.5°
C2	C3	C7	H4	145.7°	79.4°
S12	CU1	N8	CL1	108.7°	1.0°
S12	CU1	N8	C7	172.6°	170.8°
S12	CU1	N8	N9	5.9°	45.2°
CU1	S12	C10	N9	8.7°	17.1°
CU1	S12	C10	N11	170.7°	160.0°
CU1	N8	C7	C3	19.5°	66.5°
N8	CU1	S12	C10	1.4°	31.2°
CU1	N8	C7	N9	178.5°	118.5°
CU1	N8	N9	C10	14.7°	49.0°
CU1	N8	C7	H4	160.5°	113.4°
CU1	N8	N9	H5	165.3°	126.4°
C5	C4	C3	H1	180.0°	176.6°
C5	C4	C3	C7	179.4°	175.5°
C4	C5	C6	H3	179.6°	180.0°
C4	C3	C7	N8	147.4°	92.2°
C3	C4	C5	H2	179.3°	177.1°
C4	C3	C7	H4	32.6°	87.8°
C3	C7	N8	H4	180.0°	180.0°
C3	C7	N8	N9	162.0°	175.0°
C7	C3	C4	H1	0.6°	8.0°
S12	C10	N9	N8	16.0°	16.5°
S12	C10	N9	N11	179.4°	177.5°
S12	C10	N11	C16	5.5°	14.0°
S12	C10	N11	C17	173.8°	161.6°
S12	C10	N9	H5	164.0°	158.9°
C10	S12	CU1	CL1	95.4°	149.0°
C7	N8	N9	C10	163.9°	157.1°
C7	N8	N9	H5	16.1°	18.3°
C7	N8	CU1	CL1	63.9°	171.8°
N8	N9	C10	H5	180.0°	175.4°
N8	N9	C10	N11	163.4°	166.0°
N9	N8	C7	H4	18.0°	5.1°
N9	N8	CU1	CL1	114.6°	46.1°
N9	C10	N11	C16	175.2°	162.9°
N9	C10	N11	C17	5.5°	21.5°
C10	N11	C16	C17	179.4°	176.0°
C10	N11	C16	H12	180.0°	11.7°
C10	N11	C16	H13	60.0°	131.6°
C10	N11	C16	H14	60.0°	108.4°
C10	N11	C17	H15	180.0°	19.6°
C10	N11	C17	H16	60.0°	139.6°
C10	N11	C17	H17	60.0°	100.3°
N11	C10	N9	H5	16.6°	18.6°
N11	C16	H12	H13	120.0°	120.4°
N11	C16	H12	H14	120.0°	120.3°
N11	C16	H13	H14	120.0°	120.1°
C16	N11	C17	H15	0.7°	156.3°
C16	N11	C17	H16	120.6°	36.3°
C16	N11	C17	H17	119.4°	83.8°
C17	N11	C16	H12	0.6°	172.3°
C17	N11	C16	H13	119.4°	52.4°
C17	N11	C16	H14	120.6°	67.6°
N11	C17	H15	H16	120.0°	120.8°
N11	C17	H15	H17	120.0°	120.0°
N11	C17	H16	H17	120.0°	120.1°
H1	C4	C5	H2	0.7°	0.5°
H2	C5	C6	H3	0.4°	0.2°
H9	C15	H10	H11	120.0°	120.0°
H12	C16	H13	H14	120.0°	119.1°
H15	C17	H16	H17	120.0°	119.2°

Release date:	2023-07-05
Definition date:	2022-06-25
Last modified:	2026-09-16
Release status:	REL
Processing site:	PDBJ
Derived from:	7Y2D